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

C23H30N4O3 — CID 14281026

IUPACN-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide
SMILESCN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCCC1
InChIInChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
InChIKeyPTEGEICPLYKICS-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.13
Rot. Bonds7

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

N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide (PubChem CID 14281026) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide
PubChem CID14281026
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide
SMILESCN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCCC1
InChIInChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29)
InChIKeyPTEGEICPLYKICS-UHFFFAOYSA-N
XLogP4.13
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.13
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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Related Compounds

Bmy 43351
CID 5487415
{Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyryl]-amino}-acetic acid methyl ester
CID 14281006
Ethyl 4-[5-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 14981439
7-[4-[4-(2-Methylpropyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005612
7-[4-[4-(2-Ethylbutyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005613
7-[4-[4-(Cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005615
7-[4-(4-Cycloheptylpiperazin-1-yl)-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005618
7-[4-(4-Benzylpiperazin-1-yl)-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005621
1-[4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yloxy)-1-oxobutyl]-4-(2-thienylmethyl)piperazine
CID 15005630
1-[4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]quinolin-7-yloxy)-1-oxobutyl]-4-(3-thienylmethyl)piperazine
CID 15005631
7-[5-[4-(Cyclohexylmethyl)piperazin-1-yl]-5-oxopentoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005634
7-[6-[4-(Cyclohexylmethyl)piperazin-1-yl]-6-oxohexoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005635

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide?
The IUPAC name of N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide (CID 14281026) is N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide?
The canonical SMILES for N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide is CN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide?
The InChIKey is PTEGEICPLYKICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-27(17-8-4-2-3-5-9-17)21(28)10-6-7-13-30-18-11-12-19-16(14-18)15-20-22(24-19)26-23(29)25-20/h11-12,14-15,17H,2-10,13H2,1H3,(H2,24,25,26,29).
What are the key properties of N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide?
N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide has a molecular weight of 410.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]pentanamide is sourced from PubChem (CID 14281026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).