4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one

C21H16N2O2S2 — CID 55428430

IUPAC4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H16N2O2S2/c24-19-12-15(13-4-1-2-5-16(13)22-19)21(25)23-9-7-17-14(8-11-27-17)20(23)18-6-3-10-26-18/h1-6,8,10-12,20H,7,9H2,(H,22,24)
InChIKeyAJDOQRMGZLJOHI-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.44
Rot. Bonds2

About 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one

4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one (PubChem CID 55428430) has the molecular formula C21H16N2O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one
PubChem CID55428430
Molecular FormulaC21H16N2O2S2
Molecular Weight392.51 g/mol
Exact Mass392.07
IUPAC Name4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C21H16N2O2S2/c24-19-12-15(13-4-1-2-5-16(13)22-19)21(25)23-9-7-17-14(8-11-27-17)20(23)18-6-3-10-26-18/h1-6,8,10-12,20H,7,9H2,(H,22,24)
InChIKeyAJDOQRMGZLJOHI-UHFFFAOYSA-N
XLogP4.44
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one with MolForge

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Related Compounds

(2-nitrophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576989
(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576996
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
[2-(difluoromethoxy)phenyl]-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43036207
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 9075582
(2-bromo-5-methoxyphenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16577027
methyl 5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylate
CID 42942144
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(5-bromo-3-pyridinyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18125753
2,3-dihydro-1,4-dioxin-5-yl-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 124606633

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one (CID 55428430) is 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
The InChIKey is AJDOQRMGZLJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S2/c24-19-12-15(13-4-1-2-5-16(13)22-19)21(25)23-9-7-17-14(8-11-27-17)20(23)18-6-3-10-26-18/h1-6,8,10-12,20H,7,9H2,(H,22,24).
What are the key properties of 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one?
4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one has a molecular weight of 392.51 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 55428430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).