6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide

C17H12ClFN2O — CID 4787383

IUPAC6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1C(N)=O
InChIInChI=1S/C17H12ClFN2O/c1-9-15(17(20)22)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)21-9/h2-8H,1H3,(H2,20,22)
InChIKeyTYLLJJWWJRROQT-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.10
Rot. Bonds2

About 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide

6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide (PubChem CID 4787383) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
PubChem CID4787383
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1C(N)=O
InChIInChI=1S/C17H12ClFN2O/c1-9-15(17(20)22)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)21-9/h2-8H,1H3,(H2,20,22)
InChIKeyTYLLJJWWJRROQT-UHFFFAOYSA-N
XLogP4.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
CID 8966744
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
CID 8966968
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
CID 71551498
CID 71551498
4-[6-chloro-4-(2-fluorophenyl)-3-methylquinolin-2-yl]phenol;hydrochloride
CID 135591135
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
6-chloro-4-(2-fluorophenyl)quinolin-3-amine
CID 15035185
3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide
CID 155589240
6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
1-[7-chloro-2-methyl-4-[2-(2-phenylethyl)phenyl]quinolin-3-yl]ethanone
CID 146169361
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 6278543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide (CID 4787383) is 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1C(N)=O.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide?
The InChIKey is TYLLJJWWJRROQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c1-9-15(17(20)22)16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)21-9/h2-8H,1H3,(H2,20,22).
What are the key properties of 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide?
6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide has a molecular weight of 314.75 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 4787383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).