4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide

C20H14N6OS — CID 58189506

IUPAC4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cc1
InChIInChI=1S/C20H14N6OS/c21-18(27)11-4-6-12(7-5-11)24-20-15-8-9-28-17(15)13-2-1-3-14(16(13)25-20)19-22-10-23-26-19/h1-10H,(H2,21,27)(H,24,25)(H,22,23,26)
InChIKeyFPGQJZNMSHOCKW-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.08
Rot. Bonds4

About 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide

4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide (PubChem CID 58189506) has the molecular formula C20H14N6OS and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide
PubChem CID58189506
Molecular FormulaC20H14N6OS
Molecular Weight386.44 g/mol
Exact Mass386.09
IUPAC Name4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cc1
InChIInChI=1S/C20H14N6OS/c21-18(27)11-4-6-12(7-5-11)24-20-15-8-9-28-17(15)13-2-1-3-14(16(13)25-20)19-22-10-23-26-19/h1-10H,(H2,21,27)(H,24,25)(H,22,23,26)
InChIKeyFPGQJZNMSHOCKW-UHFFFAOYSA-N
XLogP4.08
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide?
The IUPAC name of 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide (CID 58189506) is 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3sccc23)cc1.
What is the InChIKey of 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide?
The InChIKey is FPGQJZNMSHOCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6OS/c21-18(27)11-4-6-12(7-5-11)24-20-15-8-9-28-17(15)13-2-1-3-14(16(13)25-20)19-22-10-23-26-19/h1-10H,(H2,21,27)(H,24,25)(H,22,23,26).
What are the key properties of 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide?
4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide has a molecular weight of 386.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 58189506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).