N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide

C17H13ClN2O — CID 830452

IUPACN-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c1-11-13(10-12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2-10H,1H3,(H,20,21)
InChIKeyLHLOMIJABKAKQQ-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.45
Rot. Bonds2

About N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide

N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide (PubChem CID 830452) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
PubChem CID830452
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-(2-chlorophenyl)-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c1-11-13(10-12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2-10H,1H3,(H,20,21)
InChIKeyLHLOMIJABKAKQQ-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide (CID 830452) is N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
The InChIKey is LHLOMIJABKAKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-13(10-12-6-2-4-8-15(12)19-11)17(21)20-16-9-5-3-7-14(16)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide?
N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 830452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).