1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea

C18H16ClFN4O3 — CID 162429270

IUPAC1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea
SMILESCOCCn1cnc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2c1=O
InChIInChI=1S/C18H16ClFN4O3/c1-27-7-6-24-10-21-16-5-3-11(8-13(16)17(24)25)22-18(26)23-12-2-4-15(20)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H2,22,23,26)
InChIKeyOYLNAPQDBCPWEV-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.48
Rot. Bonds5

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

1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea (PubChem CID 162429270) has the molecular formula C18H16ClFN4O3 and a molecular weight of 390.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea
PubChem CID162429270
Molecular FormulaC18H16ClFN4O3
Molecular Weight390.80 g/mol
Exact Mass390.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea
SMILESCOCCn1cnc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2c1=O
InChIInChI=1S/C18H16ClFN4O3/c1-27-7-6-24-10-21-16-5-3-11(8-13(16)17(24)25)22-18(26)23-12-2-4-15(20)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H2,22,23,26)
InChIKeyOYLNAPQDBCPWEV-UHFFFAOYSA-N
XLogP3.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 91639946
1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
CID 162429338
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826913
1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
CID 46385135
[2-[[3-[(4-chloro-3-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoethyl] acetate
CID 25158963

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea (CID 162429270) is 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea is COCCn1cnc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2c1=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea?
The InChIKey is OYLNAPQDBCPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3/c1-27-7-6-24-10-21-16-5-3-11(8-13(16)17(24)25)22-18(26)23-12-2-4-15(20)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H2,22,23,26).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea has a molecular weight of 390.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea is sourced from PubChem (CID 162429270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).