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

C25H30N4O3 — CID 1138134

IUPAC3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H30N4O3/c1-2-32-22-10-11-23-19(14-22)13-20(24(30)28-23)17-29(16-18-7-6-12-26-15-18)25(31)27-21-8-4-3-5-9-21/h6-7,10-15,21H,2-5,8-9,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyDILPGDDKVBSHNM-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.37
Rot. Bonds7

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

3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 1138134) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID1138134
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H30N4O3/c1-2-32-22-10-11-23-19(14-22)13-20(24(30)28-23)17-29(16-18-7-6-12-26-15-18)25(31)27-21-8-4-3-5-9-21/h6-7,10-15,21H,2-5,8-9,16-17H2,1H3,(H,27,31)(H,28,30)
InChIKeyDILPGDDKVBSHNM-UHFFFAOYSA-N
XLogP4.37
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1-benzyl-3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 4193062
3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437358
3-cyclohexyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1138135
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 1137283
3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 1137288
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
3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1430710
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430556
3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1449557
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194704

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 1138134) is 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is DILPGDDKVBSHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-32-22-10-11-23-19(14-22)13-20(24(30)28-23)17-29(16-18-7-6-12-26-15-18)25(31)27-21-8-4-3-5-9-21/h6-7,10-15,21H,2-5,8-9,16-17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?
3-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 434.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1138134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).