6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide

C18H14ClFN2O — CID 41377444

IUPAC6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O/c1-11-16(9-13-8-14(19)4-7-17(13)22-11)18(23)21-10-12-2-5-15(20)6-3-12/h2-9H,10H2,1H3,(H,21,23)
InChIKeySUTFQIOMNFWFDS-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.27
Rot. Bonds3

About 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide (PubChem CID 41377444) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
PubChem CID41377444
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O/c1-11-16(9-13-8-14(19)4-7-17(13)22-11)18(23)21-10-12-2-5-15(20)6-3-12/h2-9H,10H2,1H3,(H,21,23)
InChIKeySUTFQIOMNFWFDS-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
N-(1,3-benzodioxol-5-ylmethyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732120
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
CID 110299117
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
6-chloro-2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinoline-3-carboxamide
CID 46975953
N-(5-chloro-2-pyridinyl)-6-fluoro-2-methylquinoline-3-carboxamide
CID 4732180
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
CID 36943257

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide (CID 41377444) is 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
The InChIKey is SUTFQIOMNFWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-11-16(9-13-8-14(19)4-7-17(13)22-11)18(23)21-10-12-2-5-15(20)6-3-12/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 41377444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).