N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide

C19H17FN2O — CID 67974248

IUPACN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide
SMILESCCC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1
InChIInChI=1S/C19H17FN2O/c1-3-19(23)22-18-9-13-5-6-14(8-15(13)11-21-18)17-10-16(20)7-4-12(17)2/h4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyBIMHVIWEJQIWMC-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.70
Rot. Bonds3

About N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide

N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide (PubChem CID 67974248) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide
PubChem CID67974248
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide
SMILESCCC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1
InChIInChI=1S/C19H17FN2O/c1-3-19(23)22-18-9-13-5-6-14(8-15(13)11-21-18)17-10-16(20)7-4-12(17)2/h4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyBIMHVIWEJQIWMC-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Difenpiramide
CID 100472
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135342628
4-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine Hydrochloride
CID 2947134
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-phenylisoquinolin-1-amine
CID 613037
N-[4-(Isoquinolin-7-Yl)pyridin-2-Yl]cyclopropanecarboxamide
CID 91667413

Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide (CID 67974248) is N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide is CCC(=O)Nc1cc2ccc(-c3cc(F)ccc3C)cc2cn1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide?
The InChIKey is BIMHVIWEJQIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-3-19(23)22-18-9-13-5-6-14(8-15(13)11-21-18)17-10-16(20)7-4-12(17)2/h4-11H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide?
N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide has a molecular weight of 308.36 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]propanamide is sourced from PubChem (CID 67974248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).