3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

C24H33N3O4 — CID 655813

IUPAC3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1cc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C24H33N3O4/c1-30-21-13-16-12-17(23(28)26-20(16)14-22(21)31-2)15-27(19-10-6-7-11-19)24(29)25-18-8-4-3-5-9-18/h12-14,18-19H,3-11,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKPIUEZMSZQGAOC-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.33
Rot. Bonds6

About 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 655813) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID655813
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1cc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C24H33N3O4/c1-30-21-13-16-12-17(23(28)26-20(16)14-22(21)31-2)15-27(19-10-6-7-11-19)24(29)25-18-8-4-3-5-9-18/h12-14,18-19H,3-11,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKPIUEZMSZQGAOC-UHFFFAOYSA-N
XLogP4.33
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 655813) is 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1cc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is KPIUEZMSZQGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-30-21-13-16-12-17(23(28)26-20(16)14-22(21)31-2)15-27(19-10-6-7-11-19)24(29)25-18-8-4-3-5-9-18/h12-14,18-19H,3-11,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 427.55 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 655813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).