4168825
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3.732
2.732
4.732
2
3.732
3.732
2.866
2.866
3.732
4.5981
4.5981
3.732
5.492
5.492
6.3981
6.3981
2.866
4.5981
2.866
4.5981
3.732
2.866
2.866
2
2.2554
2.654
2.654
2.2554
4.1306
3.3335
5.4848
5.4848
6.9338
6.9338
2.3291
5.135
2.3291
5.135
4.269
3.0781
3.4766
1.69
1.4631
2.31
1.4827
1.4827
1.4827
-2.5173
2.4827
-2.5173
2.9827
3.9827
4.4827
2.9827
3.9827
0.4827
2.448
4.5173
2.9618
4.0035
-0.0173
-0.0173
-1.0173
-1.0173
-1.5173
-3.0173
-4.0173
-4.5173
3.0903
2.4001
4.5653
3.875
4.9576
4.9576
1.828
5.1373
2.6498
4.3156
0.2927
0.2927
-1.3273
-1.3273
-2.8273
-4.5999
-3.9097
-3.9804
-4.8273
-5.0543
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
535
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B30004000000000000000000000000000000000003C6080000000000000B14000001E04104000000C08C1D80432C182C00002880225525070C20010210200088819086488082022C09191842008609400C8C8071080800E00040000000200000008000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]propionamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C18H20N2O3S/c1-2-18(21)19-15-9-11-16(12-10-15)24(22,23)20-13-5-7-14-6-3-4-8-17(14)20/h3-4,6,8-12H,2,5,7,13H2,1H3,(H,19,21)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
MTJRDPFNBAIHPN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
344.119464
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C18H20N2O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
344.428
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
74.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
344.119464
24
0
0
0
0
0
0
0
1
3