N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C23H15N3O3S — CID 7157916

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN1C(=O)c2cccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)c2C1=O
InChIInChI=1S/C23H15N3O3S/c1-26-22(28)14-7-4-9-17(20(14)23(26)29)25-21(27)15-12-18(19-10-5-11-30-19)24-16-8-3-2-6-13(15)16/h2-12H,1H3,(H,25,27)
InChIKeyUAUAIBAYWOBDGS-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.44
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 7157916) has the molecular formula C23H15N3O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID7157916
Molecular FormulaC23H15N3O3S
Molecular Weight413.46 g/mol
Exact Mass413.08
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCN1C(=O)c2cccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)c2C1=O
InChIInChI=1S/C23H15N3O3S/c1-26-22(28)14-7-4-9-17(20(14)23(26)29)25-21(27)15-12-18(19-10-5-11-30-19)24-16-8-3-2-6-13(15)16/h2-12H,1H3,(H,25,27)
InChIKeyUAUAIBAYWOBDGS-UHFFFAOYSA-N
XLogP4.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
CID 7157915
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
methyl 5-phenyl-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
CID 4154099
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 7157916) is N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide is CN1C(=O)c2cccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is UAUAIBAYWOBDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S/c1-26-22(28)14-7-4-9-17(20(14)23(26)29)25-21(27)15-12-18(19-10-5-11-30-19)24-16-8-3-2-6-13(15)16/h2-12H,1H3,(H,25,27).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 7157916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).