N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide

C27H39N5O2 — CID 11442679

IUPACN-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
SMILESCCCc1nc2c(N)nc3cc(OCCCNC(=O)C4CCCCC4)ccc3c2n1CC(C)C
InChIInChI=1S/C27H39N5O2/c1-4-9-23-31-24-25(32(23)17-18(2)3)21-13-12-20(16-22(21)30-26(24)28)34-15-8-14-29-27(33)19-10-6-5-7-11-19/h12-13,16,18-19H,4-11,14-15,17H2,1-3H3,(H2,28,30)(H,29,33)
InChIKeyFIYWJFXEOLHKIN-UHFFFAOYSA-N
MW465.64 g/mol
LogP5.24
Rot. Bonds10

About N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide

N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide (PubChem CID 11442679) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
PubChem CID11442679
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
SMILESCCCc1nc2c(N)nc3cc(OCCCNC(=O)C4CCCCC4)ccc3c2n1CC(C)C
InChIInChI=1S/C27H39N5O2/c1-4-9-23-31-24-25(32(23)17-18(2)3)21-13-12-20(16-22(21)30-26(24)28)34-15-8-14-29-27(33)19-10-6-5-7-11-19/h12-13,16,18-19H,4-11,14-15,17H2,1-3H3,(H2,28,30)(H,29,33)
InChIKeyFIYWJFXEOLHKIN-UHFFFAOYSA-N
XLogP5.24
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide with MolForge

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11351558
1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
CID 11340046
N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
CID 142145309
tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane
CID 143030078
2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
CID 143012822
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide
CID 167295967
N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
CID 58833656
N-[4-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]butyl]cyclopentanecarboxamide
CID 91410377
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-[2-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]-3-propan-2-ylurea
CID 58833647
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-[2-[2-[3-[[3-(aminomethyl)cyclononyl]methylamino]-3-oxopropoxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
CID 154972230
2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
CID 160668217

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide (CID 11442679) is N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide is CCCc1nc2c(N)nc3cc(OCCCNC(=O)C4CCCCC4)ccc3c2n1CC(C)C.
What is the InChIKey of N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide?
The InChIKey is FIYWJFXEOLHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-4-9-23-31-24-25(32(23)17-18(2)3)21-13-12-20(16-22(21)30-26(24)28)34-15-8-14-29-27(33)19-10-6-5-7-11-19/h12-13,16,18-19H,4-11,14-15,17H2,1-3H3,(H2,28,30)(H,29,33).
What are the key properties of N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide?
N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide has a molecular weight of 465.64 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide is sourced from PubChem (CID 11442679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).