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

C20H20ClFN4O2 — CID 42715157

IUPAC1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea
SMILESCCn1c(C(C)N(C)C(=O)Nc2ccccc2F)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H20ClFN4O2/c1-4-26-18(23-16-10-9-13(21)11-14(16)19(26)27)12(2)25(3)20(28)24-17-8-6-5-7-15(17)22/h5-12H,4H2,1-3H3,(H,24,28)
InChIKeyKOYGDWRSWCJZQG-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.43
Rot. Bonds4

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

1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea (PubChem CID 42715157) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea
PubChem CID42715157
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea
SMILESCCn1c(C(C)N(C)C(=O)Nc2ccccc2F)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H20ClFN4O2/c1-4-26-18(23-16-10-9-13(21)11-14(16)19(26)27)12(2)25(3)20(28)24-17-8-6-5-7-15(17)22/h5-12H,4H2,1-3H3,(H,24,28)
InChIKeyKOYGDWRSWCJZQG-UHFFFAOYSA-N
XLogP4.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea with MolForge

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Related Compounds

1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42657422
3-(3-bromophenyl)-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-methylurea
CID 42713826
1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea
CID 42712768
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methoxyphenyl)-1-methylurea
CID 42715226
3-(2,4-difluorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(3-methylbutyl)urea
CID 42717811
ethyl 4-[[benzyl-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]carbamoyl]amino]benzoate
CID 42714137
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylmethoxy-N-propylacetamide
CID 42714065
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
2-[(1S)-1-(butylamino)ethyl]-6-chloro-3-ethylquinazolin-4-one
CID 7301688
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]octanamide
CID 42714210
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea (CID 42715157) is 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea is CCn1c(C(C)N(C)C(=O)Nc2ccccc2F)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea?
The InChIKey is KOYGDWRSWCJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-4-26-18(23-16-10-9-13(21)11-14(16)19(26)27)12(2)25(3)20(28)24-17-8-6-5-7-15(17)22/h5-12H,4H2,1-3H3,(H,24,28).
What are the key properties of 1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea?
1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea has a molecular weight of 402.86 g/mol, XLogP of 4.43, 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-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 42715157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).