3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea

C24H33N3O3 — CID 651996

IUPAC3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)NC3CCCCC3)cc12
InChIInChI=1S/C24H33N3O3/c1-16-10-11-17(2)22-21(16)13-18(23(28)26-22)14-27(15-20-9-6-12-30-20)24(29)25-19-7-4-3-5-8-19/h10-11,13,19-20H,3-9,12,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFISLPYBIYTXSAI-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.17
Rot. Bonds5

About 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea

3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea (PubChem CID 651996) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
PubChem CID651996
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)NC3CCCCC3)cc12
InChIInChI=1S/C24H33N3O3/c1-16-10-11-17(2)22-21(16)13-18(23(28)26-22)14-27(15-20-9-6-12-30-20)24(29)25-19-7-4-3-5-8-19/h10-11,13,19-20H,3-9,12,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFISLPYBIYTXSAI-UHFFFAOYSA-N
XLogP4.17
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea (CID 651996) is 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea is Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)NC3CCCCC3)cc12.
What is the InChIKey of 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
The InChIKey is FISLPYBIYTXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-16-10-11-17(2)22-21(16)13-18(23(28)26-22)14-27(15-20-9-6-12-30-20)24(29)25-19-7-4-3-5-8-19/h10-11,13,19-20H,3-9,12,14-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea?
3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea has a molecular weight of 411.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 651996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).