N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide

C19H16ClFN2O — CID 108789682

IUPACN-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)nc3ccc(F)cc23)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O/c1-10-6-11(2)18(16(20)7-10)23-19(24)15-8-12(3)22-17-5-4-13(21)9-14(15)17/h4-9H,1-3H3,(H,23,24)
InChIKeyLKWUOOZVQLNPEK-UHFFFAOYSA-N
MW342.80 g/mol
LogP5.20
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 108789682) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
PubChem CID108789682
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)nc3ccc(F)cc23)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O/c1-10-6-11(2)18(16(20)7-10)23-19(24)15-8-12(3)22-17-5-4-13(21)9-14(15)17/h4-9H,1-3H3,(H,23,24)
InChIKeyLKWUOOZVQLNPEK-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide (CID 108789682) is N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(C)nc3ccc(F)cc23)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is LKWUOOZVQLNPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c1-10-6-11(2)18(16(20)7-10)23-19(24)15-8-12(3)22-17-5-4-13(21)9-14(15)17/h4-9H,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108789682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).