N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H17FN2O2 — CID 67974850

IUPACN-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H17FN2O2/c1-11-6-17(21)18(24)9-16(11)14-5-4-13-8-19(22-10-15(13)7-14)23-20(25)12-2-3-12/h4-10,12,24H,2-3H2,1H3,(H,22,23,25)
InChIKeyOPPDTNXAPSWOGR-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.40
Rot. Bonds3

About N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974850) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974850
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC NameN-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H17FN2O2/c1-11-6-17(21)18(24)9-16(11)14-5-4-13-8-19(22-10-15(13)7-14)23-20(25)12-2-3-12/h4-10,12,24H,2-3H2,1H3,(H,22,23,25)
InChIKeyOPPDTNXAPSWOGR-UHFFFAOYSA-N
XLogP4.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
1-hydroxy-N-pyridin-2-yl-2-naphthamide
CID 5303058
3-Hydroxy-n-pyridin-2-yl-2-naphthamide
CID 481483
N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410360
N-[7-[5-(1-hydroxyethyl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410976
N-[7-[5-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410980
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-[6-[(1R)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411327
N-[7-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411328
N-(7-(2-cyano-5-hydroxyphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974908
N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67976245
N-(7-(6-(hydroxymethyl)-4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 68095262

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974850) is N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1cc(F)c(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is OPPDTNXAPSWOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-11-6-17(21)18(24)9-16(11)14-5-4-13-8-19(22-10-15(13)7-14)23-20(25)12-2-3-12/h4-10,12,24H,2-3H2,1H3,(H,22,23,25).
What are the key properties of N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).