N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide

C17H17N3O4S — CID 55958782

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCN3C(=O)CSC3=O)c(C)nc2c1
InChIInChI=1S/C17H17N3O4S/c1-10-13(7-11-3-4-12(24-2)8-14(11)19-10)16(22)18-5-6-20-15(21)9-25-17(20)23/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,22)
InChIKeyPFSSKNBZDKJGOB-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 55958782) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID55958782
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCN3C(=O)CSC3=O)c(C)nc2c1
InChIInChI=1S/C17H17N3O4S/c1-10-13(7-11-3-4-12(24-2)8-14(11)19-10)16(22)18-5-6-20-15(21)9-25-17(20)23/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,22)
InChIKeyPFSSKNBZDKJGOB-UHFFFAOYSA-N
XLogP1.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N'-(2,5-dimethoxyphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108512004
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7152416
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 4-methoxybenzoate
CID 2091957
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 55958782) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)NCCN3C(=O)CSC3=O)c(C)nc2c1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is PFSSKNBZDKJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10-13(7-11-3-4-12(24-2)8-14(11)19-10)16(22)18-5-6-20-15(21)9-25-17(20)23/h3-4,7-8H,5-6,9H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 55958782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).