8-methoxy-2-phenyl-3H-quinazolin-4-one

C15H12N2O2 — CID 135439437

IUPAC8-methoxy-2-phenyl-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeyXMLHWESTKAFTNA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds2

About 8-methoxy-2-phenyl-3H-quinazolin-4-one

8-methoxy-2-phenyl-3H-quinazolin-4-one (PubChem CID 135439437) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-methoxy-2-phenyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-phenyl-3H-quinazolin-4-one
PubChem CID135439437
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name8-methoxy-2-phenyl-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeyXMLHWESTKAFTNA-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Hydroxy-2-methyl-4(3H)-quinazolinone
CID 135398517
2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
8-Hydroxy-2-phenyl-3H-quinazolin-4-one
CID 135528341
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
CID 135417274
8-Hydroxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135417291
2-(4-Amino-phenyl)-8-hydroxy-3H-quinazolin-4-one
CID 135471356
8-Methoxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135513721
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenyl-3H-quinazolin-4-one?
The IUPAC name of 8-methoxy-2-phenyl-3H-quinazolin-4-one (CID 135439437) is 8-methoxy-2-phenyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-methoxy-2-phenyl-3H-quinazolin-4-one?
The canonical SMILES for 8-methoxy-2-phenyl-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 8-methoxy-2-phenyl-3H-quinazolin-4-one?
The InChIKey is XMLHWESTKAFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-9-5-8-11-13(12)16-14(17-15(11)18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of 8-methoxy-2-phenyl-3H-quinazolin-4-one?
8-methoxy-2-phenyl-3H-quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenyl-3H-quinazolin-4-one is sourced from PubChem (CID 135439437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).