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

C20H20Cl2N4O2 — CID 42711223

IUPAC1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)cc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C20H20Cl2N4O2/c1-4-26(20(28)23-15-8-5-13(21)6-9-15)12(2)18-24-17-10-7-14(22)11-16(17)19(27)25(18)3/h5-12H,4H2,1-3H3,(H,23,28)
InChIKeyLTASBXRILYGBHO-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.86
Rot. Bonds4

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

1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea (PubChem CID 42711223) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
PubChem CID42711223
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)cc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C
InChIInChI=1S/C20H20Cl2N4O2/c1-4-26(20(28)23-15-8-5-13(21)6-9-15)12(2)18-24-17-10-7-14(22)11-16(17)19(27)25(18)3/h5-12H,4H2,1-3H3,(H,23,28)
InChIKeyLTASBXRILYGBHO-UHFFFAOYSA-N
XLogP4.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 42714098
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
CID 42715226
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-ethyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42713030
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-1-ethylurea
CID 42713036
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)butanamide
CID 42713965
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42714963
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
N-butyl-3,4-dichloro-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42713904
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42723210
3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712537

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea?
The IUPAC name of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea (CID 42711223) is 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea.
What is the SMILES notation for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea?
The canonical SMILES for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea is CCN(C(=O)Nc1ccc(Cl)cc1)C(C)c1nc2ccc(Cl)cc2c(=O)n1C.
What is the InChIKey of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea?
The InChIKey is LTASBXRILYGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-4-26(20(28)23-15-8-5-13(21)6-9-15)12(2)18-24-17-10-7-14(22)11-16(17)19(27)25(18)3/h5-12H,4H2,1-3H3,(H,23,28).
What are the key properties of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea?
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea has a molecular weight of 419.31 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea is sourced from PubChem (CID 42711223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).