4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde

C26H37N3O3 — CID 142545928

IUPAC4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde
SMILESCC(OC1CCOCC1)c1nc2c3c(ccc2n1C1CCC(C=O)CC1)N(C)C(C)CC3
InChIInChI=1S/C26H37N3O3/c1-17-4-9-22-23(28(17)3)10-11-24-25(22)27-26(18(2)32-21-12-14-31-15-13-21)29(24)20-7-5-19(16-30)6-8-20/h10-11,16-21H,4-9,12-15H2,1-3H3
InChIKeyHTQFEVVITSYOMS-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.99
Rot. Bonds5

About 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde

4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde (PubChem CID 142545928) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde
PubChem CID142545928
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde
SMILESCC(OC1CCOCC1)c1nc2c3c(ccc2n1C1CCC(C=O)CC1)N(C)C(C)CC3
InChIInChI=1S/C26H37N3O3/c1-17-4-9-22-23(28(17)3)10-11-24-25(22)27-26(18(2)32-21-12-14-31-15-13-21)29(24)20-7-5-19(16-30)6-8-20/h10-11,16-21H,4-9,12-15H2,1-3H3
InChIKeyHTQFEVVITSYOMS-UHFFFAOYSA-N
XLogP4.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde with MolForge

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Related Compounds

4-[(7S)-6-methoxycarbonyl-7-methyl-2-[(1S)-1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 174212790
3-(4-formylcyclohexyl)-2-[hydroxy(phenyl)methyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane
CID 142545695
3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane
CID 142546171
trans-(1R,3R)-3-[2-[(1R)-1-cyclohexyloxyethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 174206227
methyl 2-[1-(3-chloropyrazol-1-yl)propan-2-yl]-3-(4-formylcyclohexyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 142545766
methanol;methyl 2-[1-(3-chloropyrazol-1-yl)propan-2-yl]-3-(4-formylcyclohexyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 142545765
3-[6,7-dimethyl-3-(2-morpholin-4-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]-2-phenylpropanal
CID 142546006
3-[2-[hydroxy-(3-methoxyphenyl)methyl]-6,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 142545546
3-[2-[(3-fluoro-5-methoxyphenyl)-hydroxymethyl]-6,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 142545543
3-[2-[(3-fluoro-2,6-dimethoxyphenyl)-hydroxymethyl]-6,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid;methyl formate
CID 142545586
4-[6-methoxycarbonyl-7-methyl-2-(1-phenylpropan-2-yl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 138472464
methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 138479673

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde (CID 142545928) is 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde is CC(OC1CCOCC1)c1nc2c3c(ccc2n1C1CCC(C=O)CC1)N(C)C(C)CC3.
What is the InChIKey of 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde?
The InChIKey is HTQFEVVITSYOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-17-4-9-22-23(28(17)3)10-11-24-25(22)27-26(18(2)32-21-12-14-31-15-13-21)29(24)20-7-5-19(16-30)6-8-20/h10-11,16-21H,4-9,12-15H2,1-3H3.
What are the key properties of 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde?
4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde has a molecular weight of 439.60 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethyl-2-[1-(oxan-4-yloxy)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 142545928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).