N-isoquinolin-6-yl-3-phenylpropanamide

C18H16N2O — CID 24999503

IUPACN-isoquinolin-6-yl-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2cnccc2c1
InChIInChI=1S/C18H16N2O/c21-18(9-6-14-4-2-1-3-5-14)20-17-8-7-16-13-19-11-10-15(16)12-17/h1-5,7-8,10-13H,6,9H2,(H,20,21)
InChIKeyMOTBVTHRLROMIX-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.81
Rot. Bonds4

About N-isoquinolin-6-yl-3-phenylpropanamide

N-isoquinolin-6-yl-3-phenylpropanamide (PubChem CID 24999503) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-isoquinolin-6-yl-3-phenylpropanamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-3-phenylpropanamide
PubChem CID24999503
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-isoquinolin-6-yl-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2cnccc2c1
InChIInChI=1S/C18H16N2O/c21-18(9-6-14-4-2-1-3-5-14)20-17-8-7-16-13-19-11-10-15(16)12-17/h1-5,7-8,10-13H,6,9H2,(H,20,21)
InChIKeyMOTBVTHRLROMIX-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
N-isoquinolin-6-ylbutanamide
CID 118007953
2-[benzyl(chloro)amino]-N-isoquinolin-6-ylacetamide
CID 122553534
1-isoquinolin-6-yl-4-phenylbutan-2-one
CID 58367623
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
[4-[2-(isoquinolin-6-ylamino)-2-oxoethyl]phenyl]methyl formate
CID 145314427
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-3-phenylpropanamide
CID 17222822
2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide
CID 24998256

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-3-phenylpropanamide?
The IUPAC name of N-isoquinolin-6-yl-3-phenylpropanamide (CID 24999503) is N-isoquinolin-6-yl-3-phenylpropanamide.
What is the SMILES notation for N-isoquinolin-6-yl-3-phenylpropanamide?
The canonical SMILES for N-isoquinolin-6-yl-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2cnccc2c1.
What is the InChIKey of N-isoquinolin-6-yl-3-phenylpropanamide?
The InChIKey is MOTBVTHRLROMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(9-6-14-4-2-1-3-5-14)20-17-8-7-16-13-19-11-10-15(16)12-17/h1-5,7-8,10-13H,6,9H2,(H,20,21).
What are the key properties of N-isoquinolin-6-yl-3-phenylpropanamide?
N-isoquinolin-6-yl-3-phenylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-3-phenylpropanamide is sourced from PubChem (CID 24999503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).