2-isoquinolin-6-ylpropanamide

C12H12N2O — CID 66599621

IUPAC2-isoquinolin-6-ylpropanamide
SMILESCC(C(N)=O)c1ccc2cnccc2c1
InChIInChI=1S/C12H12N2O/c1-8(12(13)15)9-2-3-11-7-14-5-4-10(11)6-9/h2-8H,1H3,(H2,13,15)
InChIKeyKXZCLHBNVUZQLZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.82
Rot. Bonds2

About 2-isoquinolin-6-ylpropanamide

2-isoquinolin-6-ylpropanamide (PubChem CID 66599621) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-isoquinolin-6-ylpropanamide.

Molecular Properties

Compound Name2-isoquinolin-6-ylpropanamide
PubChem CID66599621
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-isoquinolin-6-ylpropanamide
SMILESCC(C(N)=O)c1ccc2cnccc2c1
InChIInChI=1S/C12H12N2O/c1-8(12(13)15)9-2-3-11-7-14-5-4-10(11)6-9/h2-8H,1H3,(H2,13,15)
InChIKeyKXZCLHBNVUZQLZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
3-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide
CID 91099751
2-isoquinolin-6-ylpropan-1-amine
CID 117280533
isoquinoline-6-carboxamide;hydrochloride
CID 143697890
6-pentan-3-ylisoquinoline
CID 126576058
2-isoquinolin-6-yloxypropanoic acid
CID 82580346
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
2-phthalazin-6-ylpropanoic acid
CID 117290775
1-isoquinolin-6-yl-4-sulfanylbutane-1,2-diol
CID 171874310
2-(1H-indol-5-yl)propanamide
CID 140559721
isoquinolin-6-yl methyl carbonate
CID 22364569
2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
CID 139557591

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-6-ylpropanamide?
The IUPAC name of 2-isoquinolin-6-ylpropanamide (CID 66599621) is 2-isoquinolin-6-ylpropanamide.
What is the SMILES notation for 2-isoquinolin-6-ylpropanamide?
The canonical SMILES for 2-isoquinolin-6-ylpropanamide is CC(C(N)=O)c1ccc2cnccc2c1.
What is the InChIKey of 2-isoquinolin-6-ylpropanamide?
The InChIKey is KXZCLHBNVUZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(12(13)15)9-2-3-11-7-14-5-4-10(11)6-9/h2-8H,1H3,(H2,13,15).
What are the key properties of 2-isoquinolin-6-ylpropanamide?
2-isoquinolin-6-ylpropanamide has a molecular weight of 200.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-6-ylpropanamide is sourced from PubChem (CID 66599621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).