4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide

C15H12N4O2 — CID 135654390

IUPAC4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H12N4O2/c20-14-11-6-1-2-7-12(11)18-13(19-14)15(21)17-9-10-5-3-4-8-16-10/h1-8H,9H2,(H,17,21)(H,18,19,20)
InChIKeyCPIONNLCOZQMQQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.25
Rot. Bonds3

About 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide

4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide (PubChem CID 135654390) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
PubChem CID135654390
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
SMILESO=C(NCc1ccccn1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H12N4O2/c20-14-11-6-1-2-7-12(11)18-13(19-14)15(21)17-9-10-5-3-4-8-16-10/h1-8H,9H2,(H,17,21)(H,18,19,20)
InChIKeyCPIONNLCOZQMQQ-UHFFFAOYSA-N
XLogP1.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629201
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136579516
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide (CID 135654390) is 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide is O=C(NCc1ccccn1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide?
The InChIKey is CPIONNLCOZQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-11-6-1-2-7-12(11)18-13(19-14)15(21)17-9-10-5-3-4-8-16-10/h1-8H,9H2,(H,17,21)(H,18,19,20).
What are the key properties of 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide?
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135654390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).