4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine

C24H28N4O2 — CID 141108816

IUPAC4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
SMILESCCOCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CCCCN
InChIInChI=1S/C24H28N4O2/c1-2-29-17-23-27-22-15-26-21-11-10-19(30-16-18-8-4-3-5-9-18)14-20(21)24(22)28(23)13-7-6-12-25/h3-5,8-11,14-15H,2,6-7,12-13,16-17,25H2,1H3
InChIKeyROVGVHJLSCYDCR-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.44
Rot. Bonds10

About 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine

4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine (PubChem CID 141108816) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
PubChem CID141108816
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
SMILESCCOCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CCCCN
InChIInChI=1S/C24H28N4O2/c1-2-29-17-23-27-22-15-26-21-11-10-19(30-16-18-8-4-3-5-9-18)14-20(21)24(22)28(23)13-7-6-12-25/h3-5,8-11,14-15H,2,6-7,12-13,16-17,25H2,1H3
InChIKeyROVGVHJLSCYDCR-UHFFFAOYSA-N
XLogP4.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
CID 68971607
1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 67051136
2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
CID 67051125
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
ethane;2-(ethoxymethyl)-1-methyl-8-phenylmethoxyimidazo[4,5-c]quinolin-4-amine
CID 143012779
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate
CID 175245681
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
4-[2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butan-1-amine
CID 141155477

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine (CID 141108816) is 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine is CCOCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CCCCN.
What is the InChIKey of 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine?
The InChIKey is ROVGVHJLSCYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-29-17-23-27-22-15-26-21-11-10-19(30-16-18-8-4-3-5-9-18)14-20(21)24(22)28(23)13-7-6-12-25/h3-5,8-11,14-15H,2,6-7,12-13,16-17,25H2,1H3.
What are the key properties of 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine?
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine has a molecular weight of 404.51 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine is sourced from PubChem (CID 141108816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).