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

C16H16N6O — CID 138584377

IUPAC3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C16H16N6O/c17-16-15-14(20-13(21-15)2-1-7-23)10-4-3-9(8-12(10)19-16)11-5-6-18-22-11/h3-6,8,23H,1-2,7H2,(H2,17,19)(H,18,22)(H,20,21)
InChIKeyORRYVLOSOPRGJC-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.01
Rot. Bonds4

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

3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol (PubChem CID 138584377) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
PubChem CID138584377
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C16H16N6O/c17-16-15-14(20-13(21-15)2-1-7-23)10-4-3-9(8-12(10)19-16)11-5-6-18-22-11/h3-6,8,23H,1-2,7H2,(H2,17,19)(H,18,22)(H,20,21)
InChIKeyORRYVLOSOPRGJC-UHFFFAOYSA-N
XLogP2.01
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
CID 138607621
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584372
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607527
3-[4-amino-7-(6-methoxy-2-pyridinyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607513
7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369174
3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607476
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide
CID 135307726
3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138584388
2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethanol
CID 155679543
3-(4-amino-8-fluoro-7-methyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607534
1-[(2S)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 169316681

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol (CID 138584377) is 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nc(CCCO)[nH]c12.
What is the InChIKey of 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
The InChIKey is ORRYVLOSOPRGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-16-15-14(20-13(21-15)2-1-7-23)10-4-3-9(8-12(10)19-16)11-5-6-18-22-11/h3-6,8,23H,1-2,7H2,(H2,17,19)(H,18,22)(H,20,21).
What are the key properties of 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol?
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol has a molecular weight of 308.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol is sourced from PubChem (CID 138584377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).