1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea

C25H29N3O4 — CID 1430583

IUPAC1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCCC2)cc1
InChIInChI=1S/C25H29N3O4/c1-31-21-10-8-19(9-11-21)26-25(30)28(20-6-4-3-5-7-20)16-18-14-17-15-22(32-2)12-13-23(17)27-24(18)29/h8-15,20H,3-7,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyWJRLCHZTPCQKJT-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.91
Rot. Bonds6

About 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea

1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea (PubChem CID 1430583) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
PubChem CID1430583
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCCC2)cc1
InChIInChI=1S/C25H29N3O4/c1-31-21-10-8-19(9-11-21)26-25(30)28(20-6-4-3-5-7-20)16-18-14-17-15-22(32-2)12-13-23(17)27-24(18)29/h8-15,20H,3-7,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyWJRLCHZTPCQKJT-UHFFFAOYSA-N
XLogP4.91
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea with MolForge

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Related Compounds

1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 3194862
3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430768
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1462484
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
1-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1163852
N-cyclopentyl-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194140
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 3194801
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 1137790

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea (CID 1430583) is 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea?
The InChIKey is WJRLCHZTPCQKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-21-10-8-19(9-11-21)26-25(30)28(20-6-4-3-5-7-20)16-18-14-17-15-22(32-2)12-13-23(17)27-24(18)29/h8-15,20H,3-7,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea?
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea has a molecular weight of 435.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 1430583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).