3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol

C14H13F3N4O — CID 138607527

IUPAC3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
SMILESNc1nc2cc(C(F)(F)F)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)7-3-4-8-9(6-7)19-13(18)12-11(8)20-10(21-12)2-1-5-22/h3-4,6,22H,1-2,5H2,(H2,18,19)(H,20,21)
InChIKeyVQDOTIUUWWPXBZ-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.64
Rot. Bonds3

About 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol

3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol (PubChem CID 138607527) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
PubChem CID138607527
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
SMILESNc1nc2cc(C(F)(F)F)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)7-3-4-8-9(6-7)19-13(18)12-11(8)20-10(21-12)2-1-5-22/h3-4,6,22H,1-2,5H2,(H2,18,19)(H,20,21)
InChIKeyVQDOTIUUWWPXBZ-UHFFFAOYSA-N
XLogP2.64
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584372
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377
3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
CID 138607621
3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138584388
3-(4-amino-8-fluoro-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607534
3-[4-amino-7-(6-methoxy-2-pyridinyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607513
2-butyl-7-propan-2-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 158069633
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
CID 46308496
1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
CID 140964045
2-(2,2-dimethylpropyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 137233002

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol (CID 138607527) is 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol is Nc1nc2cc(C(F)(F)F)ccc2c2nc(CCCO)[nH]c12.
What is the InChIKey of 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The InChIKey is VQDOTIUUWWPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c15-14(16,17)7-3-4-8-9(6-7)19-13(18)12-11(8)20-10(21-12)2-1-5-22/h3-4,6,22H,1-2,5H2,(H2,18,19)(H,20,21).
What are the key properties of 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol has a molecular weight of 310.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol is sourced from PubChem (CID 138607527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).