(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H22N2O5S — CID 97146681

IUPAC(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)CC(=O)N2
InChIInChI=1S/C17H22N2O5S/c1-19(11-5-7-25(22,23)8-6-11)17(21)14-10-16(20)18-15-4-3-12(24-2)9-13(14)15/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyNSIWFLOGYIGDCQ-CQSZACIVSA-N
MW366.44 g/mol
LogP1.16
Rot. Bonds3

About (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97146681) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97146681
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ccc2c(c1)[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)CC(=O)N2
InChIInChI=1S/C17H22N2O5S/c1-19(11-5-7-25(22,23)8-6-11)17(21)14-10-16(20)18-15-4-3-12(24-2)9-13(14)15/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyNSIWFLOGYIGDCQ-CQSZACIVSA-N
XLogP1.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752414
(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97155952
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70758337
(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97122293
6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70777457
(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97132873
N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74244678
(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97110676
N-methyl-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119553909
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
(4R)-N-(1H-indol-5-ylmethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97123757

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97146681) is (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ccc2c(c1)[C@H](C(=O)N(C)C1CCS(=O)(=O)CC1)CC(=O)N2.
What is the InChIKey of (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NSIWFLOGYIGDCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-19(11-5-7-25(22,23)8-6-11)17(21)14-10-16(20)18-15-4-3-12(24-2)9-13(14)15/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97146681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).