4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H24N2O5S — CID 119228969

IUPAC4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NC3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C18H24N2O5S/c1-26(24,25)20-10-2-3-13-11-14(6-9-16(13)20)17(21)19-15-7-4-12(5-8-15)18(22)23/h6,9,11-12,15H,2-5,7-8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyPSNIDLZITAJGON-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.77
Rot. Bonds4

About 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119228969) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119228969
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)NC3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C18H24N2O5S/c1-26(24,25)20-10-2-3-13-11-14(6-9-16(13)20)17(21)19-15-7-4-12(5-8-15)18(22)23/h6,9,11-12,15H,2-5,7-8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyPSNIDLZITAJGON-UHFFFAOYSA-N
XLogP1.77
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119601839
N-[2-(aminomethyl)cyclopentyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119601838
1-methylsulfonyl-N-piperidin-3-yl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119425799
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119203628
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8819694
(2R)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370726
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
1-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 8777525

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119228969) is 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid is CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PSNIDLZITAJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-26(24,25)20-10-2-3-13-11-14(6-9-16(13)20)17(21)19-15-7-4-12(5-8-15)18(22)23/h6,9,11-12,15H,2-5,7-8,10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 380.47 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119228969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).