2-methyl-N-phenylquinoline-4-carboxamide

C17H14N2O — CID 856096

IUPAC2-methyl-N-phenylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H14N2O/c1-12-11-15(14-9-5-6-10-16(14)18-12)17(20)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20)
InChIKeyFHTZJEBURRSMFN-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.80
Rot. Bonds2

About 2-methyl-N-phenylquinoline-4-carboxamide

2-methyl-N-phenylquinoline-4-carboxamide (PubChem CID 856096) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenylquinoline-4-carboxamide
PubChem CID856096
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-methyl-N-phenylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C17H14N2O/c1-12-11-15(14-9-5-6-10-16(14)18-12)17(20)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20)
InChIKeyFHTZJEBURRSMFN-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-phenylquinoline-4-carboxamide (CID 856096) is 2-methyl-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-phenylquinoline-4-carboxamide?
The InChIKey is FHTZJEBURRSMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-11-15(14-9-5-6-10-16(14)18-12)17(20)19-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20).
What are the key properties of 2-methyl-N-phenylquinoline-4-carboxamide?
2-methyl-N-phenylquinoline-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 856096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).