1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea

C25H22ClN3O2 — CID 50828072

IUPAC1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc12
InChIInChI=1S/C25H22ClN3O2/c1-15-4-7-17(8-5-15)23-14-24(31-3)20-13-19(10-11-21(20)28-23)27-25(30)29-22-12-18(26)9-6-16(22)2/h4-14H,1-3H3,(H2,27,29,30)
InChIKeyUZQSJKVAKANYDJ-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.82
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea

1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea (PubChem CID 50828072) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
PubChem CID50828072
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea
SMILESCOc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc12
InChIInChI=1S/C25H22ClN3O2/c1-15-4-7-17(8-5-15)23-14-24(31-3)20-13-19(10-11-21(20)28-23)27-25(30)29-22-12-18(26)9-6-16(22)2/h4-14H,1-3H3,(H2,27,29,30)
InChIKeyUZQSJKVAKANYDJ-UHFFFAOYSA-N
XLogP6.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea with MolForge

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
1-(3-chloro-4-fluorophenyl)-3-(4-methoxy-2-methylquinolin-6-yl)urea
CID 46385135

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea (CID 50828072) is 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea is COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3C)cc12.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea?
The InChIKey is UZQSJKVAKANYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-15-4-7-17(8-5-15)23-14-24(31-3)20-13-19(10-11-21(20)28-23)27-25(30)29-22-12-18(26)9-6-16(22)2/h4-14H,1-3H3,(H2,27,29,30).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea?
1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea has a molecular weight of 431.92 g/mol, XLogP of 6.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]urea is sourced from PubChem (CID 50828072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).