2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol

C18H18N2O — CID 141437267

IUPAC2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol
SMILESCc1cc(C(C)(C)O)ncc1-c1ccc2ccncc2c1
InChIInChI=1S/C18H18N2O/c1-12-8-17(18(2,3)21)20-11-16(12)14-5-4-13-6-7-19-10-15(13)9-14/h4-11,21H,1-3H3
InChIKeyVPBMAQSTKCEDIJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.83
Rot. Bonds2

About 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol

2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol (PubChem CID 141437267) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol
PubChem CID141437267
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol
SMILESCc1cc(C(C)(C)O)ncc1-c1ccc2ccncc2c1
InChIInChI=1S/C18H18N2O/c1-12-8-17(18(2,3)21)20-11-16(12)14-5-4-13-6-7-19-10-15(13)9-14/h4-11,21H,1-3H3
InChIKeyVPBMAQSTKCEDIJ-UHFFFAOYSA-N
XLogP3.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-isoquinolin-7-ylphenol
CID 68897209
2-tert-butyl-5-(4-methoxyphenyl)-4-methylpyridine
CID 121384515
7-(4-chloro-2-propan-2-ylphenyl)isoquinoline
CID 121262909
2-isoquinolin-6-ylpropan-2-ol
CID 117280841
2-tert-butyl-5-(4-fluorophenyl)-4-methylpyridine
CID 121384461
ethyl 2-isoquinolin-7-yl-6-methylbenzoate
CID 23597517
1-(3-isoquinolin-7-yl-4-methylphenyl)-3-phenylurea
CID 50995965
7-(14-isoquinolin-7-yl-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl)isoquinoline
CID 59845260
N-[7-[4-methyl-6-(2-nitrosopropan-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587536
6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline
CID 144553859
4-isoquinolin-7-yl-N-methylpyridin-2-amine
CID 166371532
6-naphthalen-2-ylisoquinoline
CID 59724414

Frequently Asked Questions

What is the IUPAC name of 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol (CID 141437267) is 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol is Cc1cc(C(C)(C)O)ncc1-c1ccc2ccncc2c1.
What is the InChIKey of 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol?
The InChIKey is VPBMAQSTKCEDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-8-17(18(2,3)21)20-11-16(12)14-5-4-13-6-7-19-10-15(13)9-14/h4-11,21H,1-3H3.
What are the key properties of 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol?
2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol has a molecular weight of 278.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-isoquinolin-7-yl-4-methyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 141437267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).