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

C22H28N4O2 — CID 15005605

IUPACN-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide
SMILESCN(C(=O)CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c1-26(17-8-3-2-4-9-17)20(27)10-6-5-7-15-11-12-18-16(13-15)14-19-21(23-18)25-22(28)24-19/h11-14,17H,2-10H2,1H3,(H2,23,24,25,28)
InChIKeyOPXJIJPVHIVMBI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.91
Rot. Bonds6

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

N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide (PubChem CID 15005605) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide
PubChem CID15005605
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide
SMILESCN(C(=O)CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c1-26(17-8-3-2-4-9-17)20(27)10-6-5-7-15-11-12-18-16(13-15)14-19-21(23-18)25-22(28)24-19/h11-14,17H,2-10H2,1H3,(H2,23,24,25,28)
InChIKeyOPXJIJPVHIVMBI-UHFFFAOYSA-N
XLogP3.91
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide (CID 15005605) is N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide is CN(C(=O)CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide?
The InChIKey is OPXJIJPVHIVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-26(17-8-3-2-4-9-17)20(27)10-6-5-7-15-11-12-18-16(13-15)14-19-21(23-18)25-22(28)24-19/h11-14,17H,2-10H2,1H3,(H2,23,24,25,28).
What are the key properties of N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide?
N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide has a molecular weight of 380.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)pentanamide is sourced from PubChem (CID 15005605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).