3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

C25H36N4O4 — CID 1138164

IUPAC3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H36N4O4/c1-2-33-22-8-9-23-19(17-22)16-20(24(30)27-23)18-29(11-10-28-12-14-32-15-13-28)25(31)26-21-6-4-3-5-7-21/h8-9,16-17,21H,2-7,10-15,18H2,1H3,(H,26,31)(H,27,30)
InChIKeyAOEGHAGTGTUUJH-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.10
Rot. Bonds8

About 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 1138164) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID1138164
Molecular FormulaC25H36N4O4
Molecular Weight456.59 g/mol
Exact Mass456.27
IUPAC Name3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H36N4O4/c1-2-33-22-8-9-23-19(17-22)16-20(24(30)27-23)18-29(11-10-28-12-14-32-15-13-28)25(31)26-21-6-4-3-5-7-21/h8-9,16-17,21H,2-7,10-15,18H2,1H3,(H,26,31)(H,27,30)
InChIKeyAOEGHAGTGTUUJH-UHFFFAOYSA-N
XLogP3.10
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)thiourea
CID 1137331
1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 4193062
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 1137327
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3172068
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430556
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1138134
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1138169
3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1136959
3-cyclohexyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3195105
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1138319
3-(4-ethoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1140425
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-1-(2-pyrrolidin-1-ylethyl)thiourea
CID 1171823

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 1138164) is 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is AOEGHAGTGTUUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-2-33-22-8-9-23-19(17-22)16-20(24(30)27-23)18-29(11-10-28-12-14-32-15-13-28)25(31)26-21-6-4-3-5-7-21/h8-9,16-17,21H,2-7,10-15,18H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 456.59 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 1138164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).