6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one

C19H20N2O3 — CID 19605774

IUPAC6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(OC)c(CCc2ccc3ncn(C)c(=O)c3c2)c1
InChIInChI=1S/C19H20N2O3/c1-21-12-20-17-8-5-13(10-16(17)19(21)22)4-6-14-11-15(23-2)7-9-18(14)24-3/h5,7-12H,4,6H2,1-3H3
InChIKeyJGDMQTQSNLPWPU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.74
Rot. Bonds5

About 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one

6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one (PubChem CID 19605774) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one
PubChem CID19605774
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(OC)c(CCc2ccc3ncn(C)c(=O)c3c2)c1
InChIInChI=1S/C19H20N2O3/c1-21-12-20-17-8-5-13(10-16(17)19(21)22)4-6-14-11-15(23-2)7-9-18(14)24-3/h5,7-12H,4,6H2,1-3H3
InChIKeyJGDMQTQSNLPWPU-UHFFFAOYSA-N
XLogP2.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-4-oxoquinazolin-6-yl) 3-methoxybenzoate
CID 119046801
3-[2-(bromomethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4-one
CID 24740952
6-(4-aminophenoxy)-3-methylquinazolin-4-one
CID 25112229
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
CID 127029117
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 135752751
6-(4-bromobut-1-ynyl)-3-methylquinazolin-4-one
CID 170466882
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one
CID 34436853

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one?
The IUPAC name of 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one (CID 19605774) is 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one is COc1ccc(OC)c(CCc2ccc3ncn(C)c(=O)c3c2)c1.
What is the InChIKey of 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one?
The InChIKey is JGDMQTQSNLPWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21-12-20-17-8-5-13(10-16(17)19(21)22)4-6-14-11-15(23-2)7-9-18(14)24-3/h5,7-12H,4,6H2,1-3H3.
What are the key properties of 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one?
6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 19605774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).