[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol

C22H18FN3O — CID 71115162

IUPAC[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
SMILESCc1ccc(F)cc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1
InChIInChI=1S/C22H18FN3O/c1-14-2-5-19(23)11-20(14)17-4-3-16-10-22(25-12-18(16)9-17)26-21-8-15(13-27)6-7-24-21/h2-12,27H,13H2,1H3,(H,24,25,26)
InChIKeyMJXMHISKCNEGOQ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.98
Rot. Bonds4

About [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol

[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol (PubChem CID 71115162) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
PubChem CID71115162
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
SMILESCc1ccc(F)cc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1
InChIInChI=1S/C22H18FN3O/c1-14-2-5-19(23)11-20(14)17-4-3-16-10-22(25-12-18(16)9-17)26-21-8-15(13-27)6-7-24-21/h2-12,27H,13H2,1H3,(H,24,25,26)
InChIKeyMJXMHISKCNEGOQ-UHFFFAOYSA-N
XLogP4.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol (CID 71115162) is [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol is Cc1ccc(F)cc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1.
What is the InChIKey of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
The InChIKey is MJXMHISKCNEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-2-5-19(23)11-20(14)17-4-3-16-10-22(25-12-18(16)9-17)26-21-8-15(13-27)6-7-24-21/h2-12,27H,13H2,1H3,(H,24,25,26).
What are the key properties of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol?
[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol has a molecular weight of 359.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 71115162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).