2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide

C22H25ClN4O4 — CID 135836465

IUPAC2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OCC
InChIInChI=1S/C22H25ClN4O4/c1-4-30-18-9-7-15(11-19(18)31-5-2)24-21(28)13-27(3)12-20-25-17-10-14(23)6-8-16(17)22(29)26-20/h6-11H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyUUPQXCWYJRTVBF-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.44
Rot. Bonds9

About 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide

2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 135836465) has the molecular formula C22H25ClN4O4 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
PubChem CID135836465
Molecular FormulaC22H25ClN4O4
Molecular Weight444.92 g/mol
Exact Mass444.16
IUPAC Name2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OCC
InChIInChI=1S/C22H25ClN4O4/c1-4-30-18-9-7-15(11-19(18)31-5-2)24-21(28)13-27(3)12-20-25-17-10-14(23)6-8-16(17)22(29)26-20/h6-11H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyUUPQXCWYJRTVBF-UHFFFAOYSA-N
XLogP3.44
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135619644
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135886771
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
2-(2-bromo-4-chlorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875145
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779571
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2,6-dimethylphenoxy)-N-ethylacetamide
CID 135875142
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144
2-(4-bromo-2-fluorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875187

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide (CID 135836465) is 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OCC.
What is the InChIKey of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is UUPQXCWYJRTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4/c1-4-30-18-9-7-15(11-19(18)31-5-2)24-21(28)13-27(3)12-20-25-17-10-14(23)6-8-16(17)22(29)26-20/h6-11H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide?
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 444.92 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 135836465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).