2-(4-ethoxyphenyl)-3H-quinazolin-4-one

C16H14N2O2 — CID 135567247

IUPAC2-(4-ethoxyphenyl)-3H-quinazolin-4-one
SMILESCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeySCZPZJODHBFEBR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-ethoxyphenyl)-3H-quinazolin-4-one

2-(4-ethoxyphenyl)-3H-quinazolin-4-one (PubChem CID 135567247) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3H-quinazolin-4-one
PubChem CID135567247
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(4-ethoxyphenyl)-3H-quinazolin-4-one
SMILESCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeySCZPZJODHBFEBR-UHFFFAOYSA-N
XLogP2.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
2-(3-ethoxy-4-hydroxyphenyl)-3H-quinazolin-4-one
CID 136044078
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135471354
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
8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566972
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-3H-quinazolin-4-one (CID 135567247) is 2-(4-ethoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-3H-quinazolin-4-one is CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is SCZPZJODHBFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-3H-quinazolin-4-one?
2-(4-ethoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135567247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).