(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

C20H21NO3 — CID 707503

IUPAC(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)CCC4)c1OC
InChIInChI=1S/C20H21NO3/c1-23-18-8-4-7-14(20(18)24-2)15-11-19(22)21-17-10-13-6-3-5-12(13)9-16(15)17/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyIUNDWRDFGZDBSG-OAHLLOKOSA-N
MW323.39 g/mol
LogP3.67
Rot. Bonds3

About (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (PubChem CID 707503) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
PubChem CID707503
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)CCC4)c1OC
InChIInChI=1S/C20H21NO3/c1-23-18-8-4-7-14(20(18)24-2)15-11-19(22)21-17-10-13-6-3-5-12(13)9-16(15)17/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyIUNDWRDFGZDBSG-OAHLLOKOSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one with MolForge

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Related Compounds

(4R)-4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973947
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707562
(4S)-1-cyclopentyl-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136800406
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171910741
4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 66827792
4-(2,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 6462277
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50954568
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 56698823

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (CID 707503) is (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is COc1cccc([C@H]2CC(=O)Nc3cc4c(cc32)CCC4)c1OC.
What is the InChIKey of (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The InChIKey is IUNDWRDFGZDBSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NO3/c1-23-18-8-4-7-14(20(18)24-2)15-11-19(22)21-17-10-13-6-3-5-12(13)9-16(15)17/h4,7-10,15H,3,5-6,11H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).