(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone

C22H17N3OS — CID 46565494

IUPAC(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-22(19-14-23-17-8-4-5-9-18(17)24-19)25-12-10-20-16(11-13-27-20)21(25)15-6-2-1-3-7-15/h1-9,11,13-14,21H,10,12H2
InChIKeyIIUPCLGAFZRMFT-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.48
Rot. Bonds2

About (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone

(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone (PubChem CID 46565494) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone
PubChem CID46565494
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-22(19-14-23-17-8-4-5-9-18(17)24-19)25-12-10-20-16(11-13-27-20)21(25)15-6-2-1-3-7-15/h1-9,11,13-14,21H,10,12H2
InChIKeyIIUPCLGAFZRMFT-UHFFFAOYSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
(5,6-dichloro-3-pyridinyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245818
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 27446583
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55685749
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 33171337
oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 51073766
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone (CID 46565494) is (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone?
The InChIKey is IIUPCLGAFZRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-22(19-14-23-17-8-4-5-9-18(17)24-19)25-12-10-20-16(11-13-27-20)21(25)15-6-2-1-3-7-15/h1-9,11,13-14,21H,10,12H2.
What are the key properties of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone?
(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone has a molecular weight of 371.47 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 46565494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).