2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol

C16H21N5O — CID 143284618

IUPAC2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
SMILESCNCCCn1c(CCO)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C16H21N5O/c1-18-8-4-9-21-13(7-10-22)20-14-15(21)11-5-2-3-6-12(11)19-16(14)17/h2-3,5-6,18,22H,4,7-10H2,1H3,(H2,17,19)
InChIKeyBSXPHXMSSMJIGF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol

2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol (PubChem CID 143284618) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
PubChem CID143284618
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
SMILESCNCCCn1c(CCO)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C16H21N5O/c1-18-8-4-9-21-13(7-10-22)20-14-15(21)11-5-2-3-6-12(11)19-16(14)17/h2-3,5-6,18,22H,4,7-10H2,1H3,(H2,17,19)
InChIKeyBSXPHXMSSMJIGF-UHFFFAOYSA-N
XLogP1.31
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.31
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-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
N-[3-[4-amino-2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl]morpholine-4-carboxamide
CID 11856661
[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
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-[4-amino-1-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142033120
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The IUPAC name of 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol (CID 143284618) is 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol.
What is the SMILES notation for 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The canonical SMILES for 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol is CNCCCn1c(CCO)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
The InChIKey is BSXPHXMSSMJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-18-8-4-9-21-13(7-10-22)20-14-15(21)11-5-2-3-6-12(11)19-16(14)17/h2-3,5-6,18,22H,4,7-10H2,1H3,(H2,17,19).
What are the key properties of 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol?
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol has a molecular weight of 299.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol is sourced from PubChem (CID 143284618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).