54688355
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38
8
8
8
7
7
6
6
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6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
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1
1
1
1
1
1
1
1
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10
38
8
14
8
11
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13
14
27
7
8
21
22
10
14
10
13
15
17
25
26
16
23
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18
19
28
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20
35
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37
1
1
2
2
1
1
1
1
1
1
1
1
1
1
2
1
1
1
2
1
1
1
1
1
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1
1
1
1
1
1
1
1
1
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2
1
1
1
5
255
1
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7.1962
4.5981
5.4641
3.732
7.1962
5.4641
6.3301
4.5981
8.0622
7.1962
2.866
3.732
8.0622
6.3301
8.9561
2.866
2
8.9561
9.8622
9.8622
5.0656
5.8626
3.9441
4.3426
3.2646
2.4675
7.1962
8.949
1.69
2.556
2.3291
3.176
1.4631
2.31
8.949
10.3979
10.3979
7.7331
-1.56
0.94
1.44
-0.56
1.44
-0.56
-0.06
-0.06
-0.06
-0.56
-0.06
-1.56
0.94
0.94
-0.5947
-2.06
-0.56
1.4747
-0.0808
0.9608
-1.035
-1.035
-2.1426
-1.4523
0.4149
0.4149
2.06
-1.2146
-0.0231
-1.5231
-2.37
-2.5969
-0.87
-1.0969
2.0946
-0.3929
1.2729
-1.87
8
8
8
8
8
8
8
8
8
8
8
5
5
7
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9
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0
Compound
Canonicalized
5
2011.12.21
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
427
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371E0733000000000000000000000000000000000000000304000000000000000810000001E00100800000C0CC1980432C083C00200880225525000820000212200088801086CC8082632C0919184700866D601C8D90795C0200E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
N,N-diethyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
N,N-diethyl-2-(4-oxidanyl-2-oxidanylidene-1H-quinolin-3-yl)ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
N,N-diethyl-2-(4-hydroxy-2-keto-1H-quinolin-3-yl)acetamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C15H18N2O3/c1-3-17(4-2)13(18)9-11-14(19)10-7-5-6-8-12(10)16-15(11)20/h5-8H,3-4,9H2,1-2H3,(H2,16,19,20)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
UDRLOIWJHGWHNP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
0.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
274.131742
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C15H18N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
274.31502
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CCN(CC)C(=O)CC1=C(C2=CC=CC=C2NC1=O)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CCN(CC)C(=O)CC1=C(C2=CC=CC=C2NC1=O)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
69.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
274.131742
20
0
0
0
0
0
0
0
1
15