4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol

C18H18N2O — CID 105106899

IUPAC4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol
SMILESOC(CCc1cccnc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H18N2O/c21-17(10-7-14-4-3-11-19-13-14)12-16-9-8-15-5-1-2-6-18(15)20-16/h1-6,8-9,11,13,17,21H,7,10,12H2
InChIKeyJPZAARLFKGLPAQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.17
Rot. Bonds5

About 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol

4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol (PubChem CID 105106899) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol
PubChem CID105106899
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol
SMILESOC(CCc1cccnc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C18H18N2O/c21-17(10-7-14-4-3-11-19-13-14)12-16-9-8-15-5-1-2-6-18(15)20-16/h1-6,8-9,11,13,17,21H,7,10,12H2
InChIKeyJPZAARLFKGLPAQ-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-1-quinolin-2-ylethanol
CID 104735737
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
(1-pyridin-3-yl-2-quinolin-2-ylethyl)hydrazine
CID 105196099
1-pyridin-3-ylundecan-3-ol
CID 105085819
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol?
The IUPAC name of 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol (CID 105106899) is 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol.
What is the SMILES notation for 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol?
The canonical SMILES for 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol is OC(CCc1cccnc1)Cc1ccc2ccccc2n1.
What is the InChIKey of 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol?
The InChIKey is JPZAARLFKGLPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17(10-7-14-4-3-11-19-13-14)12-16-9-8-15-5-1-2-6-18(15)20-16/h1-6,8-9,11,13,17,21H,7,10,12H2.
What are the key properties of 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol?
4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol has a molecular weight of 278.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol is sourced from PubChem (CID 105106899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).