2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one

C15H11N3O — CID 135548602

IUPAC2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccn2)nc2ccccc12
InChIInChI=1S/C15H11N3O/c19-15-12-6-1-2-7-13(12)17-14(18-15)9-8-11-5-3-4-10-16-11/h1-10H,(H,17,18,19)/b9-8+
InChIKeyQDWRWTXJVHLZQC-CMDGGOBGSA-N
MW249.27 g/mol
LogP2.49
Rot. Bonds2

About 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one

2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one (PubChem CID 135548602) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one
PubChem CID135548602
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccn2)nc2ccccc12
InChIInChI=1S/C15H11N3O/c19-15-12-6-1-2-7-13(12)17-14(18-15)9-8-11-5-3-4-10-16-11/h1-10H,(H,17,18,19)/b9-8+
InChIKeyQDWRWTXJVHLZQC-CMDGGOBGSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyridyl)benzamide
CID 78893
6-(Phenylamino)-5,8-quinolinedione
CID 3976
N-(pyridin-2-yl)benzamide
CID 219990
4-Aminobenzamidopyridine
CID 81976
Nicotinanilide
CID 74463
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro(piperidine-4,2'(1'H)-quinazoline)-4'-amine
CID 9886249
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
4-Methyl-N-4-pyridinylbenzamide
CID 84517
Phenatine
CID 120640

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one (CID 135548602) is 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2ccccn2)nc2ccccc12.
What is the InChIKey of 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one?
The InChIKey is QDWRWTXJVHLZQC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-12-6-1-2-7-13(12)17-14(18-15)9-8-11-5-3-4-10-16-11/h1-10H,(H,17,18,19)/b9-8+.
What are the key properties of 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one?
2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one has a molecular weight of 249.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-2-ylethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135548602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).