7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline

C17H20N4O4S — CID 171912866

IUPAC7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
SMILESCOc1cccc(C2CC(=O)Nc3cc(NS(=O)(=O)N(C)C)ccc32)n1
InChIInChI=1S/C17H20N4O4S/c1-21(2)26(23,24)20-11-7-8-12-13(10-16(22)18-15(12)9-11)14-5-4-6-17(19-14)25-3/h4-9,13,20H,10H2,1-3H3,(H,18,22)
InChIKeyRPIFJJCXDUKXSX-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.78
Rot. Bonds5

About 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline

7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline (PubChem CID 171912866) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
PubChem CID171912866
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline
SMILESCOc1cccc(C2CC(=O)Nc3cc(NS(=O)(=O)N(C)C)ccc32)n1
InChIInChI=1S/C17H20N4O4S/c1-21(2)26(23,24)20-11-7-8-12-13(10-16(22)18-15(12)9-11)14-5-4-6-17(19-14)25-3/h4-9,13,20H,10H2,1-3H3,(H,18,22)
InChIKeyRPIFJJCXDUKXSX-UHFFFAOYSA-N
XLogP1.78
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(dimethylsulfamoylamino)-4-(3-methylimidazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline
CID 169414839
7-(dimethylsulfamoylamino)-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline
CID 169410481
N-[4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 171388372
4-(2-chloro-5-fluorophenyl)-7-(dimethylsulfamoylamino)-2-oxo-3,4-dihydro-1H-quinoline
CID 171388900
N-[(4R)-4-(8-hydroxyquinolin-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
CID 95119585
5,6,7-trimethoxy-4-(6-methoxy-2-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 170508079
4-(6-methoxy-2-pyridinyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171914935
1-(cyclopropylmethyl)-4-(6-methoxy-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170502065
6-(6-methoxy-2-pyridinyl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
CID 171908591
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
methyl 6-(1-methyl-2,6-dioxo-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinolin-8-yl)pyridine-2-carboxylate
CID 50984282
methyl N-[(4S)-2-oxo-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95132831

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline?
The IUPAC name of 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline (CID 171912866) is 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline?
The canonical SMILES for 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline is COc1cccc(C2CC(=O)Nc3cc(NS(=O)(=O)N(C)C)ccc32)n1.
What is the InChIKey of 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline?
The InChIKey is RPIFJJCXDUKXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-21(2)26(23,24)20-11-7-8-12-13(10-16(22)18-15(12)9-11)14-5-4-6-17(19-14)25-3/h4-9,13,20H,10H2,1-3H3,(H,18,22).
What are the key properties of 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline?
7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline has a molecular weight of 376.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoylamino)-4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 171912866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).