1H-pyrrol-2-yl(quinolin-6-yl)methanol

C14H12N2O — CID 112742814

IUPAC1H-pyrrol-2-yl(quinolin-6-yl)methanol
SMILESOC(c1ccc2ncccc2c1)c1ccc[nH]1
InChIInChI=1S/C14H12N2O/c17-14(13-4-2-8-16-13)11-5-6-12-10(9-11)3-1-7-15-12/h1-9,14,16-17H
InChIKeyDBKJNDAARPAYRF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.64
Rot. Bonds2

About 1H-pyrrol-2-yl(quinolin-6-yl)methanol

1H-pyrrol-2-yl(quinolin-6-yl)methanol (PubChem CID 112742814) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1H-pyrrol-2-yl(quinolin-6-yl)methanol.

Molecular Properties

Compound Name1H-pyrrol-2-yl(quinolin-6-yl)methanol
PubChem CID112742814
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1H-pyrrol-2-yl(quinolin-6-yl)methanol
SMILESOC(c1ccc2ncccc2c1)c1ccc[nH]1
InChIInChI=1S/C14H12N2O/c17-14(13-4-2-8-16-13)11-5-6-12-10(9-11)3-1-7-15-12/h1-9,14,16-17H
InChIKeyDBKJNDAARPAYRF-UHFFFAOYSA-N
XLogP2.64
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
pyrazin-2-yl(quinolin-6-yl)methanol
CID 63969432
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(5-fluoro-2-pyridinyl)-quinolin-6-ylmethanol
CID 81221058
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl(quinolin-6-yl)methanol?
The IUPAC name of 1H-pyrrol-2-yl(quinolin-6-yl)methanol (CID 112742814) is 1H-pyrrol-2-yl(quinolin-6-yl)methanol.
What is the SMILES notation for 1H-pyrrol-2-yl(quinolin-6-yl)methanol?
The canonical SMILES for 1H-pyrrol-2-yl(quinolin-6-yl)methanol is OC(c1ccc2ncccc2c1)c1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-yl(quinolin-6-yl)methanol?
The InChIKey is DBKJNDAARPAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14(13-4-2-8-16-13)11-5-6-12-10(9-11)3-1-7-15-12/h1-9,14,16-17H.
What are the key properties of 1H-pyrrol-2-yl(quinolin-6-yl)methanol?
1H-pyrrol-2-yl(quinolin-6-yl)methanol has a molecular weight of 224.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl(quinolin-6-yl)methanol is sourced from PubChem (CID 112742814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).