N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide

C18H14ClFN2O — CID 942646

IUPACN-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H14ClFN2O/c1-10-15(19)4-3-5-16(10)22-18(23)14-9-12-8-13(20)6-7-17(12)21-11(14)2/h3-9H,1-2H3,(H,22,23)
InChIKeyQOGCUZDPQTWQRG-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.90
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 942646) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide
PubChem CID942646
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC NameN-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C18H14ClFN2O/c1-10-15(19)4-3-5-16(10)22-18(23)14-9-12-8-13(20)6-7-17(12)21-11(14)2/h3-9H,1-2H3,(H,22,23)
InChIKeyQOGCUZDPQTWQRG-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide (CID 942646) is N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2ccc(F)cc2cc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is QOGCUZDPQTWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-10-15(19)4-3-5-16(10)22-18(23)14-9-12-8-13(20)6-7-17(12)21-11(14)2/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 942646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).