N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride

C18H30ClN3O3S — CID 119598227

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13(2)11-18(3,12-19)20-17(22)15-7-8-16-14(10-15)6-5-9-21(16)25(4,23)24;/h7-8,10,13H,5-6,9,11-12,19H2,1-4H3,(H,20,22);1H
InChIKeyYYPXCLDDDFNOEZ-UHFFFAOYSA-N
MW403.98 g/mol
LogP2.31
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119598227) has the molecular formula C18H30ClN3O3S and a molecular weight of 403.98 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
PubChem CID119598227
Molecular FormulaC18H30ClN3O3S
Molecular Weight403.98 g/mol
Exact Mass403.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O.Cl
InChIInChI=1S/C18H29N3O3S.ClH/c1-13(2)11-18(3,12-19)20-17(22)15-7-8-16-14(10-15)6-5-9-21(16)25(4,23)24;/h7-8,10,13H,5-6,9,11-12,19H2,1-4H3,(H,20,22);1H
InChIKeyYYPXCLDDDFNOEZ-UHFFFAOYSA-N
XLogP2.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119598363
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119606454
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968
4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119203628
N-[1-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119565833
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119601838
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119601839
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride (CID 119598227) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is YYPXCLDDDFNOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S.ClH/c1-13(2)11-18(3,12-19)20-17(22)15-7-8-16-14(10-15)6-5-9-21(16)25(4,23)24;/h7-8,10,13H,5-6,9,11-12,19H2,1-4H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 403.98 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119598227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).