1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea

C24H20ClN3O3 — CID 10071543

IUPAC1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1
InChIInChI=1S/C24H20ClN3O3/c1-30-17-9-11-20(22(13-17)31-2)27-24(29)28-21-14-26-19-10-8-16(25)12-18(19)23(21)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyJEORDHKEIDTYHR-UHFFFAOYSA-N
MW433.90 g/mol
LogP6.22
Rot. Bonds5

About 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea

1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 10071543) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID10071543
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1
InChIInChI=1S/C24H20ClN3O3/c1-30-17-9-11-20(22(13-17)31-2)27-24(29)28-21-14-26-19-10-8-16(25)12-18(19)23(21)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyJEORDHKEIDTYHR-UHFFFAOYSA-N
XLogP6.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-4-phenylquinolin-3-yl)acetamide
CID 10424681
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
1-(2,4-dimethoxyphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577919
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
(6-chloro-4-phenylquinolin-3-yl) acetate
CID 174381522
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921
3,5-ditert-butyl-N-(6-chloro-4-phenylquinolin-3-yl)-4-hydroxybenzamide
CID 22403898
6-chloro-N-(4-methoxyphenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 8966053
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
1-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-(2,4-dimethoxyphenyl)urea
CID 46386809
[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea (CID 10071543) is 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1.
What is the InChIKey of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is JEORDHKEIDTYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-30-17-9-11-20(22(13-17)31-2)27-24(29)28-21-14-26-19-10-8-16(25)12-18(19)23(21)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,27,28,29).
What are the key properties of 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 433.90 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-phenylquinolin-3-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 10071543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).