N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

C20H25N3O — CID 70978428

IUPACN-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccccc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C20H25N3O/c1-23(2)13-12-22-20(24)18-8-4-3-7-17(18)15-9-10-19-16(14-15)6-5-11-21-19/h3-4,7-10,14,21H,5-6,11-13H2,1-2H3,(H,22,24)
InChIKeyHKQSUHXXVXWORS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (PubChem CID 70978428) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
PubChem CID70978428
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccccc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C20H25N3O/c1-23(2)13-12-22-20(24)18-8-4-3-7-17(18)15-9-10-19-16(14-15)6-5-11-21-19/h3-4,7-10,14,21H,5-6,11-13H2,1-2H3,(H,22,24)
InChIKeyHKQSUHXXVXWORS-UHFFFAOYSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
2-(2,3-dihydro-1H-indol-5-yl)benzoic acid
CID 82039135
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[2-(dimethylamino)ethyl]-4-(6-ethyl-2,3-dihydro-1H-indol-5-yl)benzamide
CID 70866499
N-[2-(dimethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinazolin-4-yl)benzamide
CID 23790183
2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 59483504
N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953939
2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
CID 123504584
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-[3-(dimethylamino)propyl]-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 102992951

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (CID 70978428) is N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is CN(C)CCNC(=O)c1ccccc1-c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The InChIKey is HKQSUHXXVXWORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-23(2)13-12-22-20(24)18-8-4-3-7-17(18)15-9-10-19-16(14-15)6-5-11-21-19/h3-4,7-10,14,21H,5-6,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is sourced from PubChem (CID 70978428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).