N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide

C20H19N3O5S — CID 90489621

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H19N3O5S/c1-28-16-8-3-13-11-17(20(25)22-18(13)12-16)19(24)21-14-4-6-15(7-5-14)23-9-2-10-29(23,26)27/h3-8,11-12H,2,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyIKKRTABDQYLYFE-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.33
Rot. Bonds4

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 90489621) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID90489621
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C20H19N3O5S/c1-28-16-8-3-13-11-17(20(25)22-18(13)12-16)19(24)21-14-4-6-15(7-5-14)23-9-2-10-29(23,26)27/h3-8,11-12H,2,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyIKKRTABDQYLYFE-UHFFFAOYSA-N
XLogP2.33
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 55454072
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
methyl 2-[[4-[(6-methoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoyl]amino]acetate
CID 154773914
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42490383
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43048357
N-(3-amino-4-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 119420115
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile
CID 59425386
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methoxyphenyl)urea
CID 30374705
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide (CID 90489621) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is IKKRTABDQYLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-28-16-8-3-13-11-17(20(25)22-18(13)12-16)19(24)21-14-4-6-15(7-5-14)23-9-2-10-29(23,26)27/h3-8,11-12H,2,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 90489621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).