(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C22H18FN3O2 — CID 59377771

IUPAC(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCc1cc2ncccc2cc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2/c1-14-11-20-16(3-2-9-24-20)12-19(14)25-22(28)26-10-8-18(27)13-21(26)15-4-6-17(23)7-5-15/h2-12,21H,13H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyJXHLKSCCKIKOJR-NRFANRHFSA-N
MW375.40 g/mol
LogP4.74
Rot. Bonds2

About (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide

(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 59377771) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID59377771
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCc1cc2ncccc2cc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H18FN3O2/c1-14-11-20-16(3-2-9-24-20)12-19(14)25-22(28)26-10-8-18(27)13-21(26)15-4-6-17(23)7-5-15/h2-12,21H,13H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyJXHLKSCCKIKOJR-NRFANRHFSA-N
XLogP4.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 59377771) is (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide is Cc1cc2ncccc2cc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is JXHLKSCCKIKOJR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-14-11-20-16(3-2-9-24-20)12-19(14)25-22(28)26-10-8-18(27)13-21(26)15-4-6-17(23)7-5-15/h2-12,21H,13H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 59377771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).