2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

C21H22ClN3O4 — CID 7488484

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1OC
InChIInChI=1S/C21H22ClN3O4/c1-24(9-8-14-4-7-18(28-2)19(10-14)29-3)20(26)12-25-13-23-17-6-5-15(22)11-16(17)21(25)27/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyAOGQXGQXDXSYFY-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.77
Rot. Bonds7

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 7488484) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
PubChem CID7488484
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccc(CCN(C)C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1OC
InChIInChI=1S/C21H22ClN3O4/c1-24(9-8-14-4-7-18(28-2)19(10-14)29-3)20(26)12-25-13-23-17-6-5-15(22)11-16(17)21(25)27/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeyAOGQXGQXDXSYFY-UHFFFAOYSA-N
XLogP2.77
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7587513
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840588
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55578791
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55400060
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7490642
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 30835547
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7488504

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide (CID 7488484) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is COc1ccc(CCN(C)C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1OC.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is AOGQXGQXDXSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-24(9-8-14-4-7-18(28-2)19(10-14)29-3)20(26)12-25-13-23-17-6-5-15(22)11-16(17)21(25)27/h4-7,10-11,13H,8-9,12H2,1-3H3.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 415.88 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 7488484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).