69345280
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255
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5.4641
2.866
8.0622
6.3301
3.732
10.7282
10.7282
9.8222
9.8222
8.9282
8.9282
8.0622
4.5981
7.1962
7.1962
5.4641
4.5981
3.732
2.866
3.732
3.732
2
2.866
2
10.9373
11.3391
11.3391
10.9373
9.4176
10.2158
10.2158
9.4176
8.0622
4.5981
6.6592
4.8101
5.2087
6.3301
2.866
4.269
1.4631
2.866
1.4631
3.1951
4.269
1.8877
-0.6123
2.3877
0.3877
-2.1123
0.8669
1.9085
0.353
2.4223
0.8877
1.8877
0.3877
0.3877
0.8877
1.8877
0.8877
-0.6123
0.8877
0.3877
1.8877
-1.1123
0.8877
2.3877
1.8877
0.2832
0.9729
1.8024
2.4922
-0.1168
-0.126
2.9014
2.8921
-0.2323
1.0077
2.1977
-1.1949
-0.5047
-0.2323
-0.2323
2.1977
0.5777
3.0077
2.1977
-2.4223
-2.4223
8
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3
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8
8
8
8
8
3
3
10
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15
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
448
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000000000000000000000000000000000000003C6080000000000000B1C000001E00100000000D08C19E043CC092C81000A8033577540082802031122008D8213874980860F2C09591942008609400C8C8071D88C08E80000000000000000000000000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)succinamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H21N3O2/c20-18(23)11-16(13-6-2-1-3-7-13)19(24)22-15-10-14-8-4-5-9-17(14)21-12-15/h1-3,6-7,10,12,16H,4-5,8-9,11H2,(H2,20,23)(H,22,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
VVVADECRIAHJCP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
1.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
323.163377
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H21N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
323.38894
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CCC2=NC=C(C=C2C1)NC(=O)C(CC(=O)N)C3=CC=CC=C3
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CCC2=NC=C(C=C2C1)NC(=O)C(CC(=O)N)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
85.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
323.163377
24
1
0
1
0
0
0
0
1
9