(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide

C21H19FN2O — CID 71134963

IUPAC(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3CC3C)ncc2c1
InChIInChI=1S/C21H19FN2O/c1-12-3-6-17(22)10-18(12)15-5-4-14-9-20(23-11-16(14)8-15)24-21(25)19-7-13(19)2/h3-6,8-11,13,19H,7H2,1-2H3,(H,23,24,25)/t13?,19-/m1/s1
InChIKeyBKDVILNWHYFSDN-GAGCMDECSA-N
MW334.39 g/mol
LogP4.94
Rot. Bonds3

About (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide

(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 71134963) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID71134963
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3CC3C)ncc2c1
InChIInChI=1S/C21H19FN2O/c1-12-3-6-17(22)10-18(12)15-5-4-14-9-20(23-11-16(14)8-15)24-21(25)19-7-13(19)2/h3-6,8-11,13,19H,7H2,1-2H3,(H,23,24,25)/t13?,19-/m1/s1
InChIKeyBKDVILNWHYFSDN-GAGCMDECSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 123303699
N-[1-(1-fluorocyclopropyl)ethenyl]-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129170148
cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129159059
7-(5-fluoro-2-methylphenyl)-N-[1-(2-fluorophenyl)ethenyl]isoquinolin-3-amine
CID 129170157
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
N-[7-(6-chloro-5-fluoro-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 140602730
cis-(1S,2S)-N-[7-(6-chloro-5-fluoro-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 86674978
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123806

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 71134963) is (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide is Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3CC3C)ncc2c1.
What is the InChIKey of (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is BKDVILNWHYFSDN-GAGCMDECSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-12-3-6-17(22)10-18(12)15-5-4-14-9-20(23-11-16(14)8-15)24-21(25)19-7-13(19)2/h3-6,8-11,13,19H,7H2,1-2H3,(H,23,24,25)/t13?,19-/m1/s1.
What are the key properties of (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide?
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71134963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).