1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea

C18H15ClFN3O2 — CID 46385135

IUPAC1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
SMILESCOc1cc(C)nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C18H15ClFN3O2/c1-10-7-17(25-2)13-8-11(4-6-16(13)21-10)22-18(24)23-12-3-5-15(20)14(19)9-12/h3-9H,1-2H3,(H2,22,23,24)
InChIKeyHZSQCDHFKHIUQW-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.99
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea

1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea (PubChem CID 46385135) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
PubChem CID46385135
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
SMILESCOc1cc(C)nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C18H15ClFN3O2/c1-10-7-17(25-2)13-8-11(4-6-16(13)21-10)22-18(24)23-12-3-5-15(20)14(19)9-12/h3-9H,1-2H3,(H2,22,23,24)
InChIKeyHZSQCDHFKHIUQW-UHFFFAOYSA-N
XLogP4.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)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

2-chloro-N-[6-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylquinolin-4-yl]benzamide
CID 44569798
N-(4-methoxy-2-methylquinolin-6-yl)-2-[2-[(4-methoxy-2-methylquinolin-6-yl)amino]-2-oxoethoxy]acetamide
CID 44533592
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
N-[6-[(4-chlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]acetamide
CID 44569374
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
CID 50828072
N,1-bis(3-chloro-4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 155565445
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(4-amino-2-methylquinolin-6-yl)-3-(4-fluorophenyl)urea
CID 73055603

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea (CID 46385135) is 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea is COc1cc(C)nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc12.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea?
The InChIKey is HZSQCDHFKHIUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-10-7-17(25-2)13-8-11(4-6-16(13)21-10)22-18(24)23-12-3-5-15(20)14(19)9-12/h3-9H,1-2H3,(H2,22,23,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea?
1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea has a molecular weight of 359.79 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea is sourced from PubChem (CID 46385135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).