3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide

C17H19N3O — CID 43375573

IUPAC3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCCc3ccccc32)c(N)c1
InChIInChI=1S/C17H19N3O/c18-15-10-13(17(19)21)7-8-14(15)11-20-9-3-5-12-4-1-2-6-16(12)20/h1-2,4,6-8,10H,3,5,9,11,18H2,(H2,19,21)
InChIKeyKQLZMNUEAHOTLG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.32
Rot. Bonds3

About 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide

3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (PubChem CID 43375573) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
PubChem CID43375573
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(CN2CCCc3ccccc32)c(N)c1
InChIInChI=1S/C17H19N3O/c18-15-10-13(17(19)21)7-8-14(15)11-20-9-3-5-12-4-1-2-6-16(12)20/h1-2,4,6-8,10H,3,5,9,11,18H2,(H2,19,21)
InChIKeyKQLZMNUEAHOTLG-UHFFFAOYSA-N
XLogP2.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.32
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

1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-nitroaniline
CID 62184628
4-[(4-amino-2,3-dihydroindol-1-yl)methyl]-3-chlorobenzamide
CID 102668638
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-fluorobenzenecarbothioamide
CID 63293058
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63568697
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
3-(2,3-dihydroindol-1-ylmethyl)-4-fluorobenzoic acid
CID 63074922
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (CID 43375573) is 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is NC(=O)c1ccc(CN2CCCc3ccccc32)c(N)c1.
What is the InChIKey of 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The InChIKey is KQLZMNUEAHOTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-10-13(17(19)21)7-8-14(15)11-20-9-3-5-12-4-1-2-6-16(12)20/h1-2,4,6-8,10H,3,5,9,11,18H2,(H2,19,21).
What are the key properties of 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is sourced from PubChem (CID 43375573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).