5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide

C17H19N3O — CID 61305136

IUPAC5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
SMILESCc1ccc2c(c1)CCCN2c1ccc(N)cc1C(N)=O
InChIInChI=1S/C17H19N3O/c1-11-4-6-15-12(9-11)3-2-8-20(15)16-7-5-13(18)10-14(16)17(19)21/h4-7,9-10H,2-3,8,18H2,1H3,(H2,19,21)
InChIKeyLNTOUJLGFIBRHJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds2

About 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide

5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide (PubChem CID 61305136) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
PubChem CID61305136
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
SMILESCc1ccc2c(c1)CCCN2c1ccc(N)cc1C(N)=O
InChIInChI=1S/C17H19N3O/c1-11-4-6-15-12(9-11)3-2-8-20(15)16-7-5-13(18)10-14(16)17(19)21/h4-7,9-10H,2-3,8,18H2,1H3,(H2,19,21)
InChIKeyLNTOUJLGFIBRHJ-UHFFFAOYSA-N
XLogP2.76
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide?
The IUPAC name of 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide (CID 61305136) is 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide.
What is the SMILES notation for 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide?
The canonical SMILES for 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide is Cc1ccc2c(c1)CCCN2c1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide?
The InChIKey is LNTOUJLGFIBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-4-6-15-12(9-11)3-2-8-20(15)16-7-5-13(18)10-14(16)17(19)21/h4-7,9-10H,2-3,8,18H2,1H3,(H2,19,21).
What are the key properties of 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide?
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide is sourced from PubChem (CID 61305136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).