4463
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8
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6
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6
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6
6
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6
6
6
6
1
1
1
1
1
1
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14
6
9
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11
14
26
9
17
10
18
7
8
21
8
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25
11
12
13
14
15
16
19
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27
17
28
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20
30
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34
2
1
1
1
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2
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1
5
255
1
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5.8169
4.883
4.383
3.2295
6.5365
4.883
4.383
5.383
3.982
5.784
3.7595
6.0065
2.769
5.383
6.997
2
2.2318
7.5342
2.5578
7.766
4.2841
3.8004
4.2753
5.4906
5.9656
4.114
7.128
1.4083
1.7789
7.9871
3.1638
2.4268
1.9518
8.3578
2.4788
-0.6128
1.5779
-0.8991
-0.8991
-1.6128
-2.4788
-2.4788
-0.1789
-0.1789
0.796
0.796
1.1184
1.5778
1.1183
0.4158
-0.5997
-0.5998
2.0958
0.4158
-1.4523
-2.2668
-3.0894
-3.0894
-2.2668
2.1365
1.7244
0.6008
-1.0232
-1.0232
2.2268
2.7018
1.9648
0.6008
8
8
8
8
8
8
8
8
8
8
8
8
4
4
5
5
9
10
11
12
13
15
16
18
9
17
10
18
11
12
13
15
16
20
17
20
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
397
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C073A0000000000000000000000018000000000000002C580000058000000001E000001E00100000000C28C19A043FF093C81000A8023777740082802935122009D8213874D88860FAC0DD91942188688402C8C9E61801000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
NQDJXKOVJZTUJA-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
266.116761
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H14N4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
266.29786
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
58.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
266.116761
20
0
0
0
0
0
0
0
1
2