3-(quinolin-4-ylmethylamino)benzamide

C17H15N3O — CID 63868510

IUPAC3-(quinolin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C17H15N3O/c18-17(21)12-4-3-5-14(10-12)20-11-13-8-9-19-16-7-2-1-6-15(13)16/h1-10,20H,11H2,(H2,18,21)
InChIKeyQZCIZALNOKQTQG-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds4

About 3-(quinolin-4-ylmethylamino)benzamide

3-(quinolin-4-ylmethylamino)benzamide (PubChem CID 63868510) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(quinolin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-(quinolin-4-ylmethylamino)benzamide
PubChem CID63868510
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(quinolin-4-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C17H15N3O/c18-17(21)12-4-3-5-14(10-12)20-11-13-8-9-19-16-7-2-1-6-15(13)16/h1-10,20H,11H2,(H2,18,21)
InChIKeyQZCIZALNOKQTQG-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 3-(quinolin-4-ylmethylamino)benzamide 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

3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
N-(quinolin-4-ylmethyl)aniline
CID 57199115
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
3-ethynyl-N-(quinolin-4-ylmethyl)aniline
CID 63868765
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
CID 142723917
1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
CID 54525531
2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 63868237
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylmethylamino)benzamide?
The IUPAC name of 3-(quinolin-4-ylmethylamino)benzamide (CID 63868510) is 3-(quinolin-4-ylmethylamino)benzamide.
What is the SMILES notation for 3-(quinolin-4-ylmethylamino)benzamide?
The canonical SMILES for 3-(quinolin-4-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2ccnc3ccccc23)c1.
What is the InChIKey of 3-(quinolin-4-ylmethylamino)benzamide?
The InChIKey is QZCIZALNOKQTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17(21)12-4-3-5-14(10-12)20-11-13-8-9-19-16-7-2-1-6-15(13)16/h1-10,20H,11H2,(H2,18,21).
What are the key properties of 3-(quinolin-4-ylmethylamino)benzamide?
3-(quinolin-4-ylmethylamino)benzamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylmethylamino)benzamide is sourced from PubChem (CID 63868510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).