1-(3-methoxyphenyl)quinazolin-4-one

C15H12N2O2 — CID 70679369

IUPAC1-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2cnc(=O)c3ccccc32)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)17-10-16-15(18)13-7-2-3-8-14(13)17/h2-10H,1H3
InChIKeyOTHKVLPUBPYRDZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-methoxyphenyl)quinazolin-4-one

1-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 70679369) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)quinazolin-4-one
PubChem CID70679369
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2cnc(=O)c3ccccc32)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)17-10-16-15(18)13-7-2-3-8-14(13)17/h2-10H,1H3
InChIKeyOTHKVLPUBPYRDZ-UHFFFAOYSA-N
XLogP2.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 1-(3-methoxyphenyl)quinazolin-4-one (CID 70679369) is 1-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 1-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 1-(3-methoxyphenyl)quinazolin-4-one is COc1cccc(-n2cnc(=O)c3ccccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is OTHKVLPUBPYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)17-10-16-15(18)13-7-2-3-8-14(13)17/h2-10H,1H3.
What are the key properties of 1-(3-methoxyphenyl)quinazolin-4-one?
1-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 70679369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).