1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea

C21H22Cl2N4O3 — CID 42713998

IUPAC1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)Nc1cccc(Cl)c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C21H22Cl2N4O3/c1-13(19-25-18-8-7-15(23)12-17(18)20(28)26(19)2)27(9-10-30-3)21(29)24-16-6-4-5-14(22)11-16/h4-8,11-13H,9-10H2,1-3H3,(H,24,29)
InChIKeyCBZNXEAWDUBVEI-UHFFFAOYSA-N
MW449.34 g/mol
LogP4.48
Rot. Bonds6

About 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea

1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea (PubChem CID 42713998) has the molecular formula C21H22Cl2N4O3 and a molecular weight of 449.34 g/mol. Its IUPAC name is 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
PubChem CID42713998
Molecular FormulaC21H22Cl2N4O3
Molecular Weight449.34 g/mol
Exact Mass448.11
IUPAC Name1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)Nc1cccc(Cl)c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C21H22Cl2N4O3/c1-13(19-25-18-8-7-15(23)12-17(18)20(28)26(19)2)27(9-10-30-3)21(29)24-16-6-4-5-14(22)11-16/h4-8,11-13H,9-10H2,1-3H3,(H,24,29)
InChIKeyCBZNXEAWDUBVEI-UHFFFAOYSA-N
XLogP4.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea 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

3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715557
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-(2-methoxyethyl)urea
CID 42715522
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
CID 42715226
1-benzyl-1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 42714098
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42714963
1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712962
3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4037309
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea (CID 42713998) is 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea is COCCN(C(=O)Nc1cccc(Cl)c1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea?
The InChIKey is CBZNXEAWDUBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3/c1-13(19-25-18-8-7-15(23)12-17(18)20(28)26(19)2)27(9-10-30-3)21(29)24-16-6-4-5-14(22)11-16/h4-8,11-13H,9-10H2,1-3H3,(H,24,29).
What are the key properties of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea?
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea has a molecular weight of 449.34 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 42713998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).