3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C24H33N3O3 — CID 1138179

IUPAC3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C24H33N3O3/c1-2-17-10-11-22-18(13-17)14-19(23(28)26-22)15-27(16-21-9-6-12-30-21)24(29)25-20-7-4-3-5-8-20/h10-11,13-14,20-21H,2-9,12,15-16H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyIQKVWLRIJFLXGZ-NRFANRHFSA-N
MW411.55 g/mol
LogP4.11
Rot. Bonds6

About 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 1138179) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID1138179
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C24H33N3O3/c1-2-17-10-11-22-18(13-17)14-19(23(28)26-22)15-27(16-21-9-6-12-30-21)24(29)25-20-7-4-3-5-8-20/h10-11,13-14,20-21H,2-9,12,15-16H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyIQKVWLRIJFLXGZ-NRFANRHFSA-N
XLogP4.11
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Launch Full Analysis

Related Compounds

3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1169379
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)urea
CID 3172399
3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25452444
1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1375134
3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1430395
1-[(2-chlorophenyl)methyl]-3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194704
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1138180
3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1138187
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1133667
3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 3170371
3-(4-ethoxyphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1169356
3-(2,4-dimethylphenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1141900

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 1138179) is 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is IQKVWLRIJFLXGZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-2-17-10-11-22-18(13-17)14-19(23(28)26-22)15-27(16-21-9-6-12-30-21)24(29)25-20-7-4-3-5-8-20/h10-11,13-14,20-21H,2-9,12,15-16H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 411.55 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 1138179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).