2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid

C19H20N2O5S — CID 119255068

IUPAC2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C19H20N2O5S/c1-12-5-7-15(11-16(12)19(23)24)20-18(22)14-6-8-17-13(10-14)4-3-9-21(17)27(2,25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyBQRNDASFNHJTDO-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid

2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid (PubChem CID 119255068) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
PubChem CID119255068
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C19H20N2O5S/c1-12-5-7-15(11-16(12)19(23)24)20-18(22)14-6-8-17-13(10-14)4-3-9-21(17)27(2,25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyBQRNDASFNHJTDO-UHFFFAOYSA-N
XLogP2.66
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid with MolForge

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Related Compounds

4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 28544504
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-(3-chloro-4-cyanophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 26700840
N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119515394
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214
N-dibenzofuran-3-yl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 5306913
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid (CID 119255068) is 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid?
The InChIKey is BQRNDASFNHJTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-5-7-15(11-16(12)19(23)24)20-18(22)14-6-8-17-13(10-14)4-3-9-21(17)27(2,25)26/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid?
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid has a molecular weight of 388.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid is sourced from PubChem (CID 119255068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).