6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one

C17H12Cl2N2O3 — CID 8506237

IUPAC6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-24-16-5-2-10(6-13(16)19)15(22)8-21-9-20-14-4-3-11(18)7-12(14)17(21)23/h2-7,9H,8H2,1H3
InChIKeyMJJIHLDDHJWYGQ-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.59
Rot. Bonds4

About 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one

6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one (PubChem CID 8506237) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
PubChem CID8506237
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-24-16-5-2-10(6-13(16)19)15(22)8-21-9-20-14-4-3-11(18)7-12(14)17(21)23/h2-7,9H,8H2,1H3
InChIKeyMJJIHLDDHJWYGQ-UHFFFAOYSA-N
XLogP3.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123516
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
N-[4-[[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 24528389
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
CID 24528411
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one (CID 8506237) is 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one is COc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1Cl.
What is the InChIKey of 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is MJJIHLDDHJWYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-24-16-5-2-10(6-13(16)19)15(22)8-21-9-20-14-4-3-11(18)7-12(14)17(21)23/h2-7,9H,8H2,1H3.
What are the key properties of 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one?
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 363.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 8506237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).