2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one

C17H16N2O2 — CID 168551046

IUPAC2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
SMILESCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C17H16N2O2/c1-3-21-15-9-8-12(10-11(15)2)16-18-14-7-5-4-6-13(14)17(20)19-16/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyLSNWPTKBBMWPAG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one

2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one (PubChem CID 168551046) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
PubChem CID168551046
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
SMILESCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C17H16N2O2/c1-3-21-15-9-8-12(10-11(15)2)16-18-14-7-5-4-6-13(14)17(20)19-16/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyLSNWPTKBBMWPAG-UHFFFAOYSA-N
XLogP3.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(3-chloro-4-propoxyphenyl)-3H-quinazolin-4-one
CID 168551941
[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-chlorobenzoate
CID 168552283
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-ethoxy-3-iodo-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168552547
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
CID 168552483
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-(2-ethoxy-5-nitrophenyl)-3H-quinazolin-4-one
CID 139685445

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one (CID 168551046) is 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one is CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is LSNWPTKBBMWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-15-9-8-12(10-11(15)2)16-18-14-7-5-4-6-13(14)17(20)19-16/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one?
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).