3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one

C18H18N2O2 — CID 137304038

IUPAC3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one
SMILESCCOc1ccc(C)cc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C18H18N2O2/c1-4-22-17-10-9-12(2)11-16(17)20-13(3)19-15-8-6-5-7-14(15)18(20)21/h5-11H,4H2,1-3H3
InChIKeyKZOAWYNEANDYJM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.40
Rot. Bonds3

About 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one

3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one (PubChem CID 137304038) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one
PubChem CID137304038
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one
SMILESCCOc1ccc(C)cc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C18H18N2O2/c1-4-22-17-10-9-12(2)11-16(17)20-13(3)19-15-8-6-5-7-14(15)18(20)21/h5-11H,4H2,1-3H3
InChIKeyKZOAWYNEANDYJM-UHFFFAOYSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 42723566
3-(2-methoxy-5-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 9329464
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
3-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 41479726
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methylbutanamide
CID 42723592
N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)butanamide
CID 42723641
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
3-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 18147411
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
2-methyl-3-(2-methyl-3-trimethylsilyloxyphenyl)quinazolin-4-one
CID 629564

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one?
The IUPAC name of 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one (CID 137304038) is 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one?
The canonical SMILES for 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one is CCOc1ccc(C)cc1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one?
The InChIKey is KZOAWYNEANDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-22-17-10-9-12(2)11-16(17)20-13(3)19-15-8-6-5-7-14(15)18(20)21/h5-11H,4H2,1-3H3.
What are the key properties of 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one?
3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-methylphenyl)-2-methylquinazolin-4-one is sourced from PubChem (CID 137304038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).