1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

C26H31N3O3 — CID 4193062

IUPAC1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C26H31N3O3/c1-2-32-23-13-14-24-20(16-23)15-21(25(30)28-24)18-29(17-19-9-5-3-6-10-19)26(31)27-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22H,2,4,7-8,11-12,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyBOXGYDPGDLHMNZ-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.97
Rot. Bonds7

About 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 4193062) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID4193062
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C26H31N3O3/c1-2-32-23-13-14-24-20(16-23)15-21(25(30)28-24)18-29(17-19-9-5-3-6-10-19)26(31)27-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22H,2,4,7-8,11-12,17-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyBOXGYDPGDLHMNZ-UHFFFAOYSA-N
XLogP4.97
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1138134
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430936
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430930
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 1138164
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1138319
1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1137496
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194704
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430556
1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1375134
3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437358
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
CID 3172399

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 4193062) is 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is BOXGYDPGDLHMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-32-23-13-14-24-20(16-23)15-21(25(30)28-24)18-29(17-19-9-5-3-6-10-19)26(31)27-22-11-7-4-8-12-22/h3,5-6,9-10,13-16,22H,2,4,7-8,11-12,17-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 433.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 4193062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).