(3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone

C19H12N2OS — CID 15358522

IUPAC(3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C19H12N2OS/c22-19(16-11-6-12-23-16)18-17(13-7-2-1-3-8-13)20-14-9-4-5-10-15(14)21-18/h1-12H
InChIKeyWJCJMUDGEKZOOL-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.59
Rot. Bonds3

About (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone

(3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone (PubChem CID 15358522) has the molecular formula C19H12N2OS and a molecular weight of 316.39 g/mol. Its IUPAC name is (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone
PubChem CID15358522
Molecular FormulaC19H12N2OS
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Name(3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C19H12N2OS/c22-19(16-11-6-12-23-16)18-17(13-7-2-1-3-8-13)20-14-9-4-5-10-15(14)21-18/h1-12H
InChIKeyWJCJMUDGEKZOOL-UHFFFAOYSA-N
XLogP4.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methylquinoxalin-2-yl)sulfanyl-1-phenylethanone
CID 5086070
8-anilino-6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 53361724
2-(Thiophen-2-yl)-7,8-dihydroquinolin-5(6H)-one
CID 12519802
4-(4-Methylthiophen-3-yl)quinoline-2-carboxamide
CID 71566437
N-propan-2-yl-N-[(3-thiophen-2-ylphenyl)methyl]quinoline-2-carboxamide
CID 162652227
Phenyl-(3-phenylquinoxalin-2-yl)methanone
CID 314065
7H-Indeno(2,1-c)quinolin-7-one, 6-(2-thienyl)-
CID 3080463
Phenyl[3-(trifluoromethyl)quinoxalin-2-yl]methanone
CID 53248498
(2E)-9-amino-2-(thiophen-2-ylmethylidene)-3,4-dihydroacridin-1-one
CID 145985541
(2Z)-9-amino-2-(thiophen-2-ylmethylidene)-3,4-dihydroacridin-1-one
CID 145986284
3-Benzyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134805626
3-Phenyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134810731

Frequently Asked Questions

What is the IUPAC name of (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone (CID 15358522) is (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone?
The InChIKey is WJCJMUDGEKZOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS/c22-19(16-11-6-12-23-16)18-17(13-7-2-1-3-8-13)20-14-9-4-5-10-15(14)21-18/h1-12H.
What are the key properties of (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone?
(3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone has a molecular weight of 316.39 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylquinoxalin-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 15358522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).