(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C17H15F2NO3 — CID 40645350

IUPAC(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2
InChIInChI=1S/C17H15F2NO3/c1-22-12-6-14-17(15(7-12)23-2)13(8-16(21)20-14)9-3-10(18)5-11(19)4-9/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyVXQDABSPZPIHAO-ZDUSSCGKSA-N
MW319.31 g/mol
LogP3.46
Rot. Bonds3

About (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 40645350) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID40645350
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2
InChIInChI=1S/C17H15F2NO3/c1-22-12-6-14-17(15(7-12)23-2)13(8-16(21)20-14)9-3-10(18)5-11(19)4-9/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyVXQDABSPZPIHAO-ZDUSSCGKSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453
4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169422029
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
(4R)-4-(3-ethenylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 95119643
4-(2-chlorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2997112
4-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 84628790
(4R)-4-(2-ethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248757
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 132569592
(4S)-5,7-dimethoxy-4-[(E)-pent-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95125676
(9R)-9-(3-fluorophenyl)-6,8-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27881721

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 40645350) is (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2.
What is the InChIKey of (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VXQDABSPZPIHAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-22-12-6-14-17(15(7-12)23-2)13(8-16(21)20-14)9-3-10(18)5-11(19)4-9/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 319.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 40645350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).