1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea

C25H23N3O3 — CID 46385044

IUPAC1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
SMILESCCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(OC)c3)cc12
InChIInChI=1S/C25H23N3O3/c1-3-31-24-16-23(17-8-5-4-6-9-17)28-22-13-12-19(15-21(22)24)27-25(29)26-18-10-7-11-20(14-18)30-2/h4-16H,3H2,1-2H3,(H2,26,27,29)
InChIKeyZWSSIWIKHGUIEK-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.95
Rot. Bonds6

About 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea

1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea (PubChem CID 46385044) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
PubChem CID46385044
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
SMILESCCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(OC)c3)cc12
InChIInChI=1S/C25H23N3O3/c1-3-31-24-16-23(17-8-5-4-6-9-17)28-22-13-12-19(15-21(22)24)27-25(29)26-18-10-7-11-20(14-18)30-2/h4-16H,3H2,1-2H3,(H2,26,27,29)
InChIKeyZWSSIWIKHGUIEK-UHFFFAOYSA-N
XLogP5.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
4-ethoxy-N-(2-ethylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318886
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[2-(3-chlorophenyl)-6-(phenylcarbamoylamino)quinolin-4-yl]oxyacetate
CID 50827614
1-[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 50828262
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827542
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
1-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46385124
N-(2-carbamoylphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318898
1-[4-[bis(2-chloroethyl)amino]phenyl]-3-[4-(3-methoxyanilino)-2-phenylquinolin-6-yl]urea
CID 90682626

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea (CID 46385044) is 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea is CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cccc(OC)c3)cc12.
What is the InChIKey of 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is ZWSSIWIKHGUIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-31-24-16-23(17-8-5-4-6-9-17)28-22-13-12-19(15-21(22)24)27-25(29)26-18-10-7-11-20(14-18)30-2/h4-16H,3H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea?
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 413.48 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 46385044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).