N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide

C16H11ClFN3O — CID 4732180

IUPACN-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11ClFN3O/c1-9-13(7-10-6-12(18)3-4-14(10)20-9)16(22)21-15-5-2-11(17)8-19-15/h2-8H,1H3,(H,19,21,22)
InChIKeyYTAHTWXXVRKOFE-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.98
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide

N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 4732180) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
PubChem CID4732180
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC NameN-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11ClFN3O/c1-9-13(7-10-6-12(18)3-4-14(10)20-9)16(22)21-15-5-2-11(17)8-19-15/h2-8H,1H3,(H,19,21,22)
InChIKeyYTAHTWXXVRKOFE-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
N'-benzoyl-6-fluoro-2-methylquinoline-3-carbohydrazide
CID 4732209
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
6-fluoro-2-methylquinoline-3-carboxamide
CID 945082
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide
CID 21072666
6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
CID 4732228
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide (CID 4732180) is N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is YTAHTWXXVRKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c1-9-13(7-10-6-12(18)3-4-14(10)20-9)16(22)21-15-5-2-11(17)8-19-15/h2-8H,1H3,(H,19,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide?
N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 4732180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).