2-(aminomethyl)-N-quinolin-8-ylbenzamide

C17H15N3O — CID 82546402

IUPAC2-(aminomethyl)-N-quinolin-8-ylbenzamide
SMILESNCc1ccccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H15N3O/c18-11-13-5-1-2-8-14(13)17(21)20-15-9-3-6-12-7-4-10-19-16(12)15/h1-10H,11,18H2,(H,20,21)
InChIKeyGNOAKAKBLQKANA-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds3

About 2-(aminomethyl)-N-quinolin-8-ylbenzamide

2-(aminomethyl)-N-quinolin-8-ylbenzamide (PubChem CID 82546402) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-quinolin-8-ylbenzamide
PubChem CID82546402
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(aminomethyl)-N-quinolin-8-ylbenzamide
SMILESNCc1ccccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C17H15N3O/c18-11-13-5-1-2-8-14(13)17(21)20-15-9-3-6-12-7-4-10-19-16(12)15/h1-10H,11,18H2,(H,20,21)
InChIKeyGNOAKAKBLQKANA-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
2-amino-3-bromo-N-quinolin-8-ylbenzamide
CID 110451344
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-amino-3-fluoro-N-quinolin-8-ylpyridine-4-carboxamide
CID 105384038
N-quinolin-8-yl-9H-carbazole-1-carboxamide
CID 66606498
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
N-[2-[2-(aminomethyl)phenyl]phenyl]quinolin-8-amine
CID 174947176
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-(aminomethyl)-N-quinolin-8-ylbenzamide (CID 82546402) is 2-(aminomethyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-(aminomethyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-(aminomethyl)-N-quinolin-8-ylbenzamide is NCc1ccccc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-(aminomethyl)-N-quinolin-8-ylbenzamide?
The InChIKey is GNOAKAKBLQKANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-11-13-5-1-2-8-14(13)17(21)20-15-9-3-6-12-7-4-10-19-16(12)15/h1-10H,11,18H2,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-quinolin-8-ylbenzamide?
2-(aminomethyl)-N-quinolin-8-ylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 82546402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).