N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C16H18N4O3S — CID 119515394

IUPACN-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(N)nc3)ccc21
InChIInChI=1S/C16H18N4O3S/c1-24(22,23)20-8-2-3-11-9-12(4-6-14(11)20)16(21)19-13-5-7-15(17)18-10-13/h4-7,9-10H,2-3,8H2,1H3,(H2,17,18)(H,19,21)
InChIKeyGGUVXRZHRFWJTQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.63
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 119515394) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID119515394
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(N)nc3)ccc21
InChIInChI=1S/C16H18N4O3S/c1-24(22,23)20-8-2-3-11-9-12(4-6-14(11)20)16(21)19-13-5-7-15(17)18-10-13/h4-7,9-10H,2-3,8H2,1H3,(H2,17,18)(H,19,21)
InChIKeyGGUVXRZHRFWJTQ-UHFFFAOYSA-N
XLogP1.63
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86843305
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-(3-chloro-4-cyanophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 26700840
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
1-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78889850
N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55787848
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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 119515394) is N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(N)nc3)ccc21.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is GGUVXRZHRFWJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-24(22,23)20-8-2-3-11-9-12(4-6-14(11)20)16(21)19-13-5-7-15(17)18-10-13/h4-7,9-10H,2-3,8H2,1H3,(H2,17,18)(H,19,21).
What are the key properties of N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 119515394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).