(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H21FN2O2 — CID 32896131

IUPAC(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(C)c1
InChIInChI=1S/C20H21FN2O2/c1-12-4-5-14(13(2)8-12)11-23(3)20(25)17-10-19(24)22-18-9-15(21)6-7-16(17)18/h4-9,17H,10-11H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyQWFIUNAADCDWMO-KRWDZBQOSA-N
MW340.40 g/mol
LogP3.53
Rot. Bonds3

About (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 32896131) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID32896131
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(C)c1
InChIInChI=1S/C20H21FN2O2/c1-12-4-5-14(13(2)8-12)11-23(3)20(25)17-10-19(24)22-18-9-15(21)6-7-16(17)18/h4-9,17H,10-11H2,1-3H3,(H,22,24)/t17-/m0/s1
InChIKeyQWFIUNAADCDWMO-KRWDZBQOSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-7-fluoro-N-[(2-methoxyphenyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434660
7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 47021219
5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221762
7-fluoro-N-methyl-2-oxo-N-[(4-prop-2-enoxyphenyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46577762
N-ethyl-7-fluoro-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24657368
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18135621
2-[benzyl-[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]acetic acid
CID 125149786
(4S)-6-fluoro-N-(isoquinolin-5-ylmethyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97131542
(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97149530
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate
CID 78884778
7-fluoro-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86998531

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 32896131) is (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1ccc(CN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c(C)c1.
What is the InChIKey of (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is QWFIUNAADCDWMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-12-4-5-14(13(2)8-12)11-23(3)20(25)17-10-19(24)22-18-9-15(21)6-7-16(17)18/h4-9,17H,10-11H2,1-3H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 32896131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).