2-(4-methoxyphenyl)-3-methylquinazolin-4-one

C16H14N2O2 — CID 12626586

IUPAC2-(4-methoxyphenyl)-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C16H14N2O2/c1-18-15(11-7-9-12(20-2)10-8-11)17-14-6-4-3-5-13(14)16(18)19/h3-10H,1-2H3
InChIKeyFXIMUEMOZUBXNF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.61
Rot. Bonds2

About 2-(4-methoxyphenyl)-3-methylquinazolin-4-one

2-(4-methoxyphenyl)-3-methylquinazolin-4-one (PubChem CID 12626586) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methylquinazolin-4-one
PubChem CID12626586
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C16H14N2O2/c1-18-15(11-7-9-12(20-2)10-8-11)17-14-6-4-3-5-13(14)16(18)19/h3-10H,1-2H3
InChIKeyFXIMUEMOZUBXNF-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methylquinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methylquinazolin-4-one (CID 12626586) is 2-(4-methoxyphenyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methylquinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methylquinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methylquinazolin-4-one?
The InChIKey is FXIMUEMOZUBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-15(11-7-9-12(20-2)10-8-11)17-14-6-4-3-5-13(14)16(18)19/h3-10H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methylquinazolin-4-one?
2-(4-methoxyphenyl)-3-methylquinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 12626586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).