3-amino-2-methyl-N-quinolin-3-ylbenzamide

C17H15N3O — CID 61111679

IUPAC3-amino-2-methyl-N-quinolin-3-ylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O/c1-11-14(6-4-7-15(11)18)17(21)20-13-9-12-5-2-3-8-16(12)19-10-13/h2-10H,18H2,1H3,(H,20,21)
InChIKeyAAWAEBXYAKLODL-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.38
Rot. Bonds2

About 3-amino-2-methyl-N-quinolin-3-ylbenzamide

3-amino-2-methyl-N-quinolin-3-ylbenzamide (PubChem CID 61111679) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-quinolin-3-ylbenzamide
PubChem CID61111679
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-amino-2-methyl-N-quinolin-3-ylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O/c1-11-14(6-4-7-15(11)18)17(21)20-13-9-12-5-2-3-8-16(12)19-10-13/h2-10H,18H2,1H3,(H,20,21)
InChIKeyAAWAEBXYAKLODL-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-nitro-N-quinolin-3-ylbenzamide
CID 4079471
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
2-(dimethylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 38938974
2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046
5-[(2-chlorobenzoyl)amino]-3-methyl-N-quinolin-3-ylthiophene-2-carboxamide
CID 55832112
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-amino-2-methyl-N-quinolin-3-ylbenzamide (CID 61111679) is 3-amino-2-methyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-amino-2-methyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-amino-2-methyl-N-quinolin-3-ylbenzamide is Cc1c(N)cccc1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-amino-2-methyl-N-quinolin-3-ylbenzamide?
The InChIKey is AAWAEBXYAKLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-14(6-4-7-15(11)18)17(21)20-13-9-12-5-2-3-8-16(12)19-10-13/h2-10H,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-quinolin-3-ylbenzamide?
3-amino-2-methyl-N-quinolin-3-ylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 61111679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).