54694329
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41
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7
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255
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6.3301
4.5981
6.3301
4.5981
5.4641
7.1962
7.1962
4.5981
3.732
6.3301
5.4641
2.866
3.732
2.866
8.0901
8.0901
5.4641
3.732
6.3301
8.9962
8.9962
2
3.732
2.3291
8.0829
8.0829
5.1541
6.001
5.7741
4.352
3.732
3.112
6.9501
6.3301
5.7101
9.5319
9.5319
1.69
1.4631
2.31
6.8671
-1.75
1.25
1.25
-0.75
-0.25
-0.25
0.75
-1.75
-0.25
-0.75
0.75
-1.75
-2.25
-0.75
-0.7847
1.2847
-2.25
0.75
2.25
-0.2708
0.7708
-2.25
-2.87
-0.44
-1.4046
1.9046
-2.7869
-2.56
-1.7131
0.75
1.37
0.75
2.25
2.87
2.25
-0.5829
1.0829
-1.7131
-2.56
-2.7869
-2.06
8
8
8
8
8
8
8
8
8
8
8
8
8
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8
3
3
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20
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11
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21
0
Compound
Canonicalized
5
2011.12.21
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
472
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371E07A3000000000000000000000000000000000000000306080000000000000814000001E00000800000C0C81980432C083000200880225525000820000212200088801086CC8082632C0959184700866C601C8D90798C8E08EC0000200001200008000040000240000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)-2-quinolinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-1-methyl-3-(2,4,6-trimethylphenyl)quinolin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
1-methyl-4-oxidanyl-3-(2,4,6-trimethylphenyl)quinolin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-3-mesityl-1-methyl-carbostyril
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C19H19NO2/c1-11-9-12(2)16(13(3)10-11)17-18(21)14-7-5-6-8-15(14)20(4)19(17)22/h5-10,21H,1-4H3
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
LEIAVWWANCNTJJ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
293.141579
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C19H19NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
293.35966
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3N(C2=O)C)O)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3N(C2=O)C)O)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
40.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
293.141579
22
0
0
0
0
0
0
0
1
3