2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol

C17H23N5O — CID 142032833

IUPAC2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
SMILESCNCCCCn1c(CCO)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C17H23N5O/c1-19-9-4-5-10-22-14(8-11-23)21-15-16(22)12-6-2-3-7-13(12)20-17(15)18/h2-3,6-7,19,23H,4-5,8-11H2,1H3,(H2,18,20)
InChIKeyQPGBUZSWIPJNAO-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.70
Rot. Bonds7

About 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol

2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol (PubChem CID 142032833) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
PubChem CID142032833
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
SMILESCNCCCCn1c(CCO)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C17H23N5O/c1-19-9-4-5-10-22-14(8-11-23)21-15-16(22)12-6-2-3-7-13(12)20-17(15)18/h2-3,6-7,19,23H,4-5,8-11H2,1H3,(H2,18,20)
InChIKeyQPGBUZSWIPJNAO-UHFFFAOYSA-N
XLogP1.70
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[4-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-fluorobenzenesulfonamide
CID 11856928
2-[4-amino-1-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142033120
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
CID 11856661
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The IUPAC name of 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol (CID 142032833) is 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol.
What is the SMILES notation for 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The canonical SMILES for 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol is CNCCCCn1c(CCO)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The InChIKey is QPGBUZSWIPJNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-19-9-4-5-10-22-14(8-11-23)21-15-16(22)12-6-2-3-7-13(12)20-17(15)18/h2-3,6-7,19,23H,4-5,8-11H2,1H3,(H2,18,20).
What are the key properties of 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol has a molecular weight of 313.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol is sourced from PubChem (CID 142032833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).