2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one

C16H14N2O2 — CID 135407310

IUPAC2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one
SMILESCOc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyHTLUBFSSIMOABR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one

2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one (PubChem CID 135407310) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one
PubChem CID135407310
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one
SMILESCOc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyHTLUBFSSIMOABR-UHFFFAOYSA-N
XLogP2.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one (CID 135407310) is 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one is COc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one?
The InChIKey is HTLUBFSSIMOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-3-5-13-14(10)17-15(18-16(13)19)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one?
2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135407310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).