1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea

C20H21ClN4O3 — CID 42715226

IUPAC1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)C(C)c2nc3ccc(Cl)cc3c(=O)n2C)cc1
InChIInChI=1S/C20H21ClN4O3/c1-12(24(2)20(27)22-14-6-8-15(28-4)9-7-14)18-23-17-10-5-13(21)11-16(17)19(26)25(18)3/h5-12H,1-4H3,(H,22,27)
InChIKeyGBMFZPOOCZRRMG-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.82
Rot. Bonds4

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

1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea (PubChem CID 42715226) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
PubChem CID42715226
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)C(C)c2nc3ccc(Cl)cc3c(=O)n2C)cc1
InChIInChI=1S/C20H21ClN4O3/c1-12(24(2)20(27)22-14-6-8-15(28-4)9-7-14)18-23-17-10-5-13(21)11-16(17)19(26)25(18)3/h5-12H,1-4H3,(H,22,27)
InChIKeyGBMFZPOOCZRRMG-UHFFFAOYSA-N
XLogP3.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)-1-ethylurea
CID 42711223
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-[2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 42714182
1-benzyl-1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 42714098
1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea
CID 42715157
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
CID 162250347
CID 162250347
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylbutanamide
CID 42713927
1-methyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42657371
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42714963

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea (CID 42715226) is 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea is COc1ccc(NC(=O)N(C)C(C)c2nc3ccc(Cl)cc3c(=O)n2C)cc1.
What is the InChIKey of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea?
The InChIKey is GBMFZPOOCZRRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-12(24(2)20(27)22-14-6-8-15(28-4)9-7-14)18-23-17-10-5-13(21)11-16(17)19(26)25(18)3/h5-12H,1-4H3,(H,22,27).
What are the key properties of 1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea?
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea has a molecular weight of 400.87 g/mol, XLogP of 3.82, 4 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-(4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 42715226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).