[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone

C17H14N2O — CID 103132930

IUPAC[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
SMILESNCc1ccc(C(=O)c2cccc3ccncc23)cc1
InChIInChI=1S/C17H14N2O/c18-10-12-4-6-14(7-5-12)17(20)15-3-1-2-13-8-9-19-11-16(13)15/h1-9,11H,10,18H2
InChIKeyFTCARZFQZJEECS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.92
Rot. Bonds3

About [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone

[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone (PubChem CID 103132930) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
PubChem CID103132930
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
SMILESNCc1ccc(C(=O)c2cccc3ccncc23)cc1
InChIInChI=1S/C17H14N2O/c18-10-12-4-6-14(7-5-12)17(20)15-3-1-2-13-8-9-19-11-16(13)15/h1-9,11H,10,18H2
InChIKeyFTCARZFQZJEECS-UHFFFAOYSA-N
XLogP2.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-8-yl-(4-methylsulfanylphenyl)methanone
CID 103134158
[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
CID 116548154
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
2,3-dihydro-1H-inden-5-yl(isoquinolin-8-yl)methanone
CID 103134049
isoquinoline-8-carboxylate
CID 86306452
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
2-[4-(isoquinoline-5-carbonyl)phenyl]ethylcarbamic acid
CID 118326171
isoquinolin-8-yl(thiophen-2-yl)methanone
CID 103133963
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
(2-amino-3-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 107469085

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone?
The IUPAC name of [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone (CID 103132930) is [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone is NCc1ccc(C(=O)c2cccc3ccncc23)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone?
The InChIKey is FTCARZFQZJEECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-10-12-4-6-14(7-5-12)17(20)15-3-1-2-13-8-9-19-11-16(13)15/h1-9,11H,10,18H2.
What are the key properties of [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone?
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone has a molecular weight of 262.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone is sourced from PubChem (CID 103132930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).