3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide

C20H15N3OS — CID 166141105

IUPAC3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H15N3OS/c21-20(24)19-17(22-15-8-4-5-9-16(15)23-19)12-14-10-11-18(25-14)13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,24)
InChIKeyXGLJBYOYIKLGCX-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.05
Rot. Bonds4

About 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide

3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide (PubChem CID 166141105) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide
PubChem CID166141105
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2nc1Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C20H15N3OS/c21-20(24)19-17(22-15-8-4-5-9-16(15)23-19)12-14-10-11-18(25-14)13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,24)
InChIKeyXGLJBYOYIKLGCX-UHFFFAOYSA-N
XLogP4.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylthiophen-3-yl)quinoline-2-carboxamide
CID 71566437
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-phenylquinoline-4-carboxamide
CID 2178931
(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
1-Benzyl-6-thiophen-3-ylpyrido[3,2-d]pyrimidin-4-one
CID 134810958
2-(2-Thienyl)-4-quinolinecarboxamide
CID 853184
N-[2-(thiophen-2-yl)ethyl]quinoline-2-carboxamide
CID 25622442
US10995070, Formula Ib-iii
CID 117740849
N-(3-carbamoylthiophen-2-yl)-2-phenylquinoline-4-carboxamide
CID 1261261
N-[(4-thiophen-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 2738533

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide (CID 166141105) is 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide is NC(=O)c1nc2ccccc2nc1Cc1ccc(-c2ccccc2)s1.
What is the InChIKey of 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide?
The InChIKey is XGLJBYOYIKLGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-20(24)19-17(22-15-8-4-5-9-16(15)23-19)12-14-10-11-18(25-14)13-6-2-1-3-7-13/h1-11H,12H2,(H2,21,24).
What are the key properties of 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide?
3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 166141105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).