3-[(4-methylphenyl)methyl]quinazolin-4-one

C16H14N2O — CID 852117

IUPAC3-[(4-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H14N2O/c1-12-6-8-13(9-7-12)10-18-11-17-15-5-3-2-4-14(15)16(18)19/h2-9,11H,10H2,1H3
InChIKeyZYYIHKICYGZIMH-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.75
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]quinazolin-4-one

3-[(4-methylphenyl)methyl]quinazolin-4-one (PubChem CID 852117) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]quinazolin-4-one
PubChem CID852117
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[(4-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H14N2O/c1-12-6-8-13(9-7-12)10-18-11-17-15-5-3-2-4-14(15)16(18)19/h2-9,11H,10H2,1H3
InChIKeyZYYIHKICYGZIMH-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]quinazolin-4-one (CID 852117) is 3-[(4-methylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]quinazolin-4-one is Cc1ccc(Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]quinazolin-4-one?
The InChIKey is ZYYIHKICYGZIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-6-8-13(9-7-12)10-18-11-17-15-5-3-2-4-14(15)16(18)19/h2-9,11H,10H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]quinazolin-4-one?
3-[(4-methylphenyl)methyl]quinazolin-4-one has a molecular weight of 250.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 852117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).