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

C19H17FN4O — CID 138584372

IUPAC3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
SMILESNc1nc2cc(-c3cccc(F)c3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C19H17FN4O/c20-13-4-1-3-11(9-13)12-6-7-14-15(10-12)22-19(21)18-17(14)23-16(24-18)5-2-8-25/h1,3-4,6-7,9-10,25H,2,5,8H2,(H2,21,22)(H,23,24)
InChIKeyBPCIMAKKJBPWBE-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.42
Rot. Bonds4

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

3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol (PubChem CID 138584372) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
PubChem CID138584372
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
SMILESNc1nc2cc(-c3cccc(F)c3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C19H17FN4O/c20-13-4-1-3-11(9-13)12-6-7-14-15(10-12)22-19(21)18-17(14)23-16(24-18)5-2-8-25/h1,3-4,6-7,9-10,25H,2,5,8H2,(H2,21,22)(H,23,24)
InChIKeyBPCIMAKKJBPWBE-UHFFFAOYSA-N
XLogP3.42
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
CID 138607621
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377
3-[4-amino-7-(6-methoxy-2-pyridinyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607513
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607527
3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607476
3-(4-amino-8-fluoro-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607534
3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138584388
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
1-[[4-amino-7-[6-(hydroxymethyl)-3-pyridinyl]-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
CID 140964045
2-[2-amino-5-(3-fluorophenyl)phenyl]ethanol
CID 70108896
7-(3-fluorophenyl)-4-(4-fluorophenyl)isoquinolin-1-amine
CID 44527392

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol (CID 138584372) is 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol is Nc1nc2cc(-c3cccc(F)c3)ccc2c2nc(CCCO)[nH]c12.
What is the InChIKey of 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The InChIKey is BPCIMAKKJBPWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-13-4-1-3-11(9-13)12-6-7-14-15(10-12)22-19(21)18-17(14)23-16(24-18)5-2-8-25/h1,3-4,6-7,9-10,25H,2,5,8H2,(H2,21,22)(H,23,24).
What are the key properties of 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol has a molecular weight of 336.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol is sourced from PubChem (CID 138584372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).