(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

C17H15F2NO — CID 40645376

IUPAC(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1C)NC(=O)C[C@@H]2c1cccc(F)c1F
InChIInChI=1S/C17H15F2NO/c1-9-6-7-12-13(8-15(21)20-17(12)10(9)2)11-4-3-5-14(18)16(11)19/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyRZSIVRYPHQPFCD-CYBMUJFWSA-N
MW287.31 g/mol
LogP4.06
Rot. Bonds1

About (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 40645376) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID40645376
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc2c(c1C)NC(=O)C[C@@H]2c1cccc(F)c1F
InChIInChI=1S/C17H15F2NO/c1-9-6-7-12-13(8-15(21)20-17(12)10(9)2)11-4-3-5-14(18)16(11)19/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyRZSIVRYPHQPFCD-CYBMUJFWSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969
4-(2,4-dichlorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 15989737
4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 68830561
(4R)-4-(4-hydroxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 7248893
(4S)-4-(3-methoxy-2-propan-2-yloxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 7248729
4-(2,3-difluorophenyl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 169410909
(4-methylphenyl)methyl 4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15989875
5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652575
(4S)-4-(2,3-difluorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 40645405
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 6462296
2-ethylbutyl (4R)-4-(2,3-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645339
(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833444

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 40645376) is (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1cccc(F)c1F.
What is the InChIKey of (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RZSIVRYPHQPFCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-9-6-7-12-13(8-15(21)20-17(12)10(9)2)11-4-3-5-14(18)16(11)19/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.31 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 40645376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).