3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol

C18H21N3O2 — CID 69319101

IUPAC3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol
SMILESCC(C)n1nc(Oc2ccc3ccccc3n2)cc1CCCO
InChIInChI=1S/C18H21N3O2/c1-13(2)21-15(7-5-11-22)12-18(20-21)23-17-10-9-14-6-3-4-8-16(14)19-17/h3-4,6,8-10,12-13,22H,5,7,11H2,1-2H3
InChIKeyNTAWIRWVCBXNIC-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.73
Rot. Bonds6

About 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol

3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol (PubChem CID 69319101) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol
PubChem CID69319101
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol
SMILESCC(C)n1nc(Oc2ccc3ccccc3n2)cc1CCCO
InChIInChI=1S/C18H21N3O2/c1-13(2)21-15(7-5-11-22)12-18(20-21)23-17-10-9-14-6-3-4-8-16(14)19-17/h3-4,6,8-10,12-13,22H,5,7,11H2,1-2H3
InChIKeyNTAWIRWVCBXNIC-UHFFFAOYSA-N
XLogP3.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]propan-1-ol
CID 69316769
phosphane;2-quinolin-2-yloxyquinoline
CID 166708861
2-quinolin-2-yloxyethanol
CID 19898678
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830
9-quinolin-2-ylnonan-1-ol
CID 19898716
2-[2-(2-quinolin-2-yloxyethoxy)ethoxy]ethanol
CID 142628371
quinolin-2-yl hydrogen sulfite
CID 175245480
3-(3-hydroxypropyl)quinoline-2-carboxamide
CID 173116844
quinolin-2-yl hypofluorite
CID 141219202
N-methyl-1-(2-quinolin-2-yloxyphenyl)methanamine
CID 106485480
butane-1,3-diol;2-methylquinoline
CID 141397242

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol?
The IUPAC name of 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol (CID 69319101) is 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol is CC(C)n1nc(Oc2ccc3ccccc3n2)cc1CCCO.
What is the InChIKey of 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol?
The InChIKey is NTAWIRWVCBXNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)21-15(7-5-11-22)12-18(20-21)23-17-10-9-14-6-3-4-8-16(14)19-17/h3-4,6,8-10,12-13,22H,5,7,11H2,1-2H3.
What are the key properties of 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol?
3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol has a molecular weight of 311.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yl-3-quinolin-2-yloxypyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 69319101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).