2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile

C24H19N3O — CID 19087819

IUPAC2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile
SMILESCCc1nc(=O)c2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C24H19N3O/c1-2-23-26-24(28)21-9-5-6-10-22(21)27(23)16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-25/h3-14H,2,16H2,1H3
InChIKeyIJMUXWKVBWCNBG-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile

2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile (PubChem CID 19087819) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile
PubChem CID19087819
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile
SMILESCCc1nc(=O)c2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C24H19N3O/c1-2-23-26-24(28)21-9-5-6-10-22(21)27(23)16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-25/h3-14H,2,16H2,1H3
InChIKeyIJMUXWKVBWCNBG-UHFFFAOYSA-N
XLogP4.55
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-[(2-butyl-6-nitrobenzimidazol-1-yl)methyl]phenyl]benzonitrile
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2-[4-[(2-butyl-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]phenyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile (CID 19087819) is 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile is CCc1nc(=O)c2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile?
The InChIKey is IJMUXWKVBWCNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-2-23-26-24(28)21-9-5-6-10-22(21)27(23)16-17-11-13-18(14-12-17)20-8-4-3-7-19(20)15-25/h3-14H,2,16H2,1H3.
What are the key properties of 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile?
2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 19087819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).