7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C18H18FN3O2 — CID 53499455

IUPAC7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)/N=c1\ccccn1C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-11(2)20-16-5-3-4-8-22(16)18(24)14-10-17(23)21-15-9-12(19)6-7-13(14)15/h3-9,11,14H,10H2,1-2H3,(H,21,23)/b20-16+
InChIKeyQZWIXRNWLMTVTL-CAPFRKAQSA-N
MW327.36 g/mol
LogP2.70
Rot. Bonds2

About 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 53499455) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID53499455
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)/N=c1\ccccn1C(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-11(2)20-16-5-3-4-8-22(16)18(24)14-10-17(23)21-15-9-12(19)6-7-13(14)15/h3-9,11,14H,10H2,1-2H3,(H,21,23)/b20-16+
InChIKeyQZWIXRNWLMTVTL-CAPFRKAQSA-N
XLogP2.70
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
CID 3606278
5-(1-Methyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrimidin-4-ol
CID 3073830
N-[4-(dimethylamino)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17526395
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3-methylbutan-2-yl)propanamide
CID 71929869
(4s)-6-Fluoro-4-(1,2,3,6-tetrahydropyridine-1-carbonyl)-1,2,3,4-tetrahydroquinolin-2-one
CID 162787699
N-(2,3-Dimethylcyclohexyl)-1,2,3,4-tetrahydro-2-oxo-4-quinolinecarboxamide
CID 20967848
7-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16594592
7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17499038
7-fluoro-2-oxo-N-(4-phenylbutyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18138489
N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142451
7-fluoro-N-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42889539
4-(2-cyclohexylimino-4-methylpyridine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 45868689

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 53499455) is 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)/N=c1\ccccn1C(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QZWIXRNWLMTVTL-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11(2)20-16-5-3-4-8-22(16)18(24)14-10-17(23)21-15-9-12(19)6-7-13(14)15/h3-9,11,14H,10H2,1-2H3,(H,21,23)/b20-16+.
What are the key properties of 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 327.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-propan-2-yliminopyridine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 53499455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).