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

C23H19N3O — CID 53245528

IUPAC3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
SMILESCc1ccc(Cn2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H19N3O/c1-17-8-10-19(11-9-17)16-26-22(13-12-18-5-4-14-24-15-18)25-21-7-3-2-6-20(21)23(26)27/h2-15H,16H2,1H3/b13-12+
InChIKeyNAEBBVWSLPTBMN-OUKQBFOZSA-N
MW353.43 g/mol
LogP4.32
Rot. Bonds4

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

3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one (PubChem CID 53245528) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
PubChem CID53245528
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
SMILESCc1ccc(Cn2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H19N3O/c1-17-8-10-19(11-9-17)16-26-22(13-12-18-5-4-14-24-15-18)25-21-7-3-2-6-20(21)23(26)27/h2-15H,16H2,1H3/b13-12+
InChIKeyNAEBBVWSLPTBMN-OUKQBFOZSA-N
XLogP4.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245568
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
2-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 71833929
3-[(4-methylphenyl)methyl]-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735060
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide
CID 101020923
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 6614301
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one (CID 53245528) is 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is Cc1ccc(Cn2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
The InChIKey is NAEBBVWSLPTBMN-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17-8-10-19(11-9-17)16-26-22(13-12-18-5-4-14-24-15-18)25-21-7-3-2-6-20(21)23(26)27/h2-15H,16H2,1H3/b13-12+.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one?
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one has a molecular weight of 353.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 53245528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).