6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide

C17H14N2O2 — CID 102530429

IUPAC6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C17H14N2O2/c1-18-17(21)16-10-13(11-5-3-2-4-6-11)14-9-12(20)7-8-15(14)19-16/h2-10,20H,1H3,(H,18,21)
InChIKeyAYFQAAZRBLRNPR-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.97
Rot. Bonds2

About 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide

6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide (PubChem CID 102530429) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide
PubChem CID102530429
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C17H14N2O2/c1-18-17(21)16-10-13(11-5-3-2-4-6-11)14-9-12(20)7-8-15(14)19-16/h2-10,20H,1H3,(H,18,21)
InChIKeyAYFQAAZRBLRNPR-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide?
The IUPAC name of 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide (CID 102530429) is 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide is CNC(=O)c1cc(-c2ccccc2)c2cc(O)ccc2n1.
What is the InChIKey of 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide?
The InChIKey is AYFQAAZRBLRNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-18-17(21)16-10-13(11-5-3-2-4-6-11)14-9-12(20)7-8-15(14)19-16/h2-10,20H,1H3,(H,18,21).
What are the key properties of 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide?
6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-methyl-4-phenylquinoline-2-carboxamide is sourced from PubChem (CID 102530429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).