N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide

C21H26N4O3 — CID 14281016

IUPACN-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1
InChIInChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
InChIKeyRBJPQMVNZAIYKC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.35
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide

N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide (PubChem CID 14281016) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
PubChem CID14281016
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1
InChIInChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
InChIKeyRBJPQMVNZAIYKC-UHFFFAOYSA-N
XLogP3.35
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide (CID 14281016) is N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide is CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The InChIKey is RBJPQMVNZAIYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27).
What are the key properties of N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide has a molecular weight of 382.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanamide is sourced from PubChem (CID 14281016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).