5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide

C16H11F2N3O2 — CID 39850308

IUPAC5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccnc(NC(=O)c2c[nH]c3cc(F)cc(F)c3c2=O)c1
InChIInChI=1S/C16H11F2N3O2/c1-8-2-3-19-13(4-8)21-16(23)10-7-20-12-6-9(17)5-11(18)14(12)15(10)22/h2-7H,1H3,(H,20,22)(H,19,21,23)
InChIKeyQLIONUPJONJMSQ-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.76
Rot. Bonds2

About 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide

5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39850308) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39850308
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccnc(NC(=O)c2c[nH]c3cc(F)cc(F)c3c2=O)c1
InChIInChI=1S/C16H11F2N3O2/c1-8-2-3-19-13(4-8)21-16(23)10-7-20-12-6-9(17)5-11(18)14(12)15(10)22/h2-7H,1H3,(H,20,22)(H,19,21,23)
InChIKeyQLIONUPJONJMSQ-UHFFFAOYSA-N
XLogP2.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Src-820 R
CID 63120
2-(Pyridin-4-yl)quinazolin-4-ol
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CID 5330817
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 71623038
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide (CID 39850308) is 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide is Cc1ccnc(NC(=O)c2c[nH]c3cc(F)cc(F)c3c2=O)c1.
What is the InChIKey of 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QLIONUPJONJMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c1-8-2-3-19-13(4-8)21-16(23)10-7-20-12-6-9(17)5-11(18)14(12)15(10)22/h2-7H,1H3,(H,20,22)(H,19,21,23).
What are the key properties of 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide?
5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 315.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39850308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).