6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C26H22N4O3S — CID 4105848

IUPAC6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
InChIInChI=1S/C26H22N4O3S/c1-15(31)30-12-11-18-22(14-30)34-26(23(18)24(27)32)29-25(33)19-13-21(16-7-3-2-4-8-16)28-20-10-6-5-9-17(19)20/h2-10,13H,11-12,14H2,1H3,(H2,27,32)(H,29,33)
InChIKeyLYPNJGUMKWHOKZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.22
Rot. Bonds4

About 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4105848) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4105848
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC Name6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1
InChIInChI=1S/C26H22N4O3S/c1-15(31)30-12-11-18-22(14-30)34-26(23(18)24(27)32)29-25(33)19-13-21(16-7-3-2-4-8-16)28-20-10-6-5-9-17(19)20/h2-10,13H,11-12,14H2,1H3,(H2,27,32)(H,29,33)
InChIKeyLYPNJGUMKWHOKZ-UHFFFAOYSA-N
XLogP4.22
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1322520
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
3-amino-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4575187
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4105848) is 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is LYPNJGUMKWHOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-15(31)30-12-11-18-22(14-30)34-26(23(18)24(27)32)29-25(33)19-13-21(16-7-3-2-4-8-16)28-20-10-6-5-9-17(19)20/h2-10,13H,11-12,14H2,1H3,(H2,27,32)(H,29,33).
What are the key properties of 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(2-phenylquinoline-4-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4105848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).