2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride

C18H21ClN2O — CID 119547274

IUPAC2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
SMILESCc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCCN3)c1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-12-5-6-13(2)16(10-12)18(21)20-15-7-8-17-14(11-15)4-3-9-19-17;/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,20,21);1H
InChIKeyRJZBDROIBGQBQG-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.34
Rot. Bonds2

About 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride

2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride (PubChem CID 119547274) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
PubChem CID119547274
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
SMILESCc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCCN3)c1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-12-5-6-13(2)16(10-12)18(21)20-15-7-8-17-14(11-15)4-3-9-19-17;/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,20,21);1H
InChIKeyRJZBDROIBGQBQG-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
CID 119547166
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride (CID 119547274) is 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride is Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCCN3)c1.Cl.
What is the InChIKey of 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride?
The InChIKey is RJZBDROIBGQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c1-12-5-6-13(2)16(10-12)18(21)20-15-7-8-17-14(11-15)4-3-9-19-17;/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,20,21);1H.
What are the key properties of 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride?
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride is sourced from PubChem (CID 119547274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).