3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol

C19H25N3O — CID 164568357

IUPAC3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCCCCc1nc2cnc3ccccc3c2n1CC(C)(C)CO
InChIInChI=1S/C19H25N3O/c1-4-5-10-17-21-16-11-20-15-9-7-6-8-14(15)18(16)22(17)12-19(2,3)13-23/h6-9,11,23H,4-5,10,12-13H2,1-3H3
InChIKeyVAARTPDDXDQUHE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds6

About 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol

3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 164568357) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID164568357
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCCCCc1nc2cnc3ccccc3c2n1CC(C)(C)CO
InChIInChI=1S/C19H25N3O/c1-4-5-10-17-21-16-11-20-15-9-7-6-8-14(15)18(16)22(17)12-19(2,3)13-23/h6-9,11,23H,4-5,10,12-13H2,1-3H3
InChIKeyVAARTPDDXDQUHE-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
tert-butyl N-(2-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
[7-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-yl]-hydroxy-dimethylsilane
CID 164835966
2-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-ol
CID 15224404
2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
CID 167067037

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol (CID 164568357) is 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol is CCCCc1nc2cnc3ccccc3c2n1CC(C)(C)CO.
What is the InChIKey of 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is VAARTPDDXDQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-10-17-21-16-11-20-15-9-7-6-8-14(15)18(16)22(17)12-19(2,3)13-23/h6-9,11,23H,4-5,10,12-13H2,1-3H3.
What are the key properties of 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol?
3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 164568357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).