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

C21H26N4O3 — CID 14281004

IUPACN-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide
SMILESCn1c(=O)[nH]c2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21
InChIInChI=1S/C21H26N4O3/c1-25-18-13-14-12-16(9-10-17(14)23-20(18)24-21(25)27)28-11-5-8-19(26)22-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyIEJDYNFNHADWGH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.02
Rot. Bonds6

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

N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide (PubChem CID 14281004) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide
PubChem CID14281004
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide
SMILESCn1c(=O)[nH]c2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21
InChIInChI=1S/C21H26N4O3/c1-25-18-13-14-12-16(9-10-17(14)23-20(18)24-21(25)27)28-11-5-8-19(26)22-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyIEJDYNFNHADWGH-UHFFFAOYSA-N
XLogP3.02
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The IUPAC name of N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide (CID 14281004) is N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide.
What is the SMILES notation for N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The canonical SMILES for N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide is Cn1c(=O)[nH]c2nc3ccc(OCCCC(=O)NC4CCCCC4)cc3cc21.
What is the InChIKey of N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
The InChIKey is IEJDYNFNHADWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-25-18-13-14-12-16(9-10-17(14)23-20(18)24-21(25)27)28-11-5-8-19(26)22-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide?
N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide has a molecular weight of 382.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]quinolin-7-yl)oxy]butanamide is sourced from PubChem (CID 14281004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).