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

C19H19NO2 — CID 973945

IUPAC(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)CCC4)c1
InChIInChI=1S/C19H19NO2/c1-22-15-7-3-6-14(8-15)16-11-19(21)20-18-10-13-5-2-4-12(13)9-17(16)18/h3,6-10,16H,2,4-5,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyRGWMQRIVRVMZGT-INIZCTEOSA-N
MW293.37 g/mol
LogP3.66
Rot. Bonds2

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

(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (PubChem CID 973945) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
PubChem CID973945
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)CCC4)c1
InChIInChI=1S/C19H19NO2/c1-22-15-7-3-6-14(8-15)16-11-19(21)20-18-10-13-5-2-4-12(13)9-17(16)18/h3,6-10,16H,2,4-5,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyRGWMQRIVRVMZGT-INIZCTEOSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(3-methoxyphenyl)-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-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707503
4-(3-nitrophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 3527771
4-(4-aminophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 66827792
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
(4S)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707562
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (CID 973945) is (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is COc1cccc([C@@H]2CC(=O)Nc3cc4c(cc32)CCC4)c1.
What is the InChIKey of (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The InChIKey is RGWMQRIVRVMZGT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-15-7-3-6-14(8-15)16-11-19(21)20-18-10-13-5-2-4-12(13)9-17(16)18/h3,6-10,16H,2,4-5,11H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 973945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).