3-phenylquinoline-5-carboxamide

C16H12N2O — CID 19033241

IUPAC3-phenylquinoline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C16H12N2O/c17-16(19)13-7-4-8-15-14(13)9-12(10-18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,19)
InChIKeyHLIRPLAAEPMYFQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.00
Rot. Bonds2

About 3-phenylquinoline-5-carboxamide

3-phenylquinoline-5-carboxamide (PubChem CID 19033241) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-phenylquinoline-5-carboxamide.

Molecular Properties

Compound Name3-phenylquinoline-5-carboxamide
PubChem CID19033241
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name3-phenylquinoline-5-carboxamide
SMILESNC(=O)c1cccc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C16H12N2O/c17-16(19)13-7-4-8-15-14(13)9-12(10-18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,19)
InChIKeyHLIRPLAAEPMYFQ-UHFFFAOYSA-N
XLogP3.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylquinoline-5-carboxamide?
The IUPAC name of 3-phenylquinoline-5-carboxamide (CID 19033241) is 3-phenylquinoline-5-carboxamide.
What is the SMILES notation for 3-phenylquinoline-5-carboxamide?
The canonical SMILES for 3-phenylquinoline-5-carboxamide is NC(=O)c1cccc2ncc(-c3ccccc3)cc12.
What is the InChIKey of 3-phenylquinoline-5-carboxamide?
The InChIKey is HLIRPLAAEPMYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-16(19)13-7-4-8-15-14(13)9-12(10-18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,19).
What are the key properties of 3-phenylquinoline-5-carboxamide?
3-phenylquinoline-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylquinoline-5-carboxamide is sourced from PubChem (CID 19033241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).