2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide

C24H20FN5O2S — CID 66864338

IUPAC2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESNc1ccc(F)cc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1cnc3ccccc3c1)CC2
InChIInChI=1S/C24H20FN5O2S/c25-16-5-6-18(26)20(11-16)29-23(31)21-10-15-7-8-30(13-22(15)33-21)24(32)28-17-9-14-3-1-2-4-19(14)27-12-17/h1-6,9-12H,7-8,13,26H2,(H,28,32)(H,29,31)
InChIKeyFTPJVLIHWPYDLU-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.86
Rot. Bonds3

About 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide

2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (PubChem CID 66864338) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
PubChem CID66864338
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC Name2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESNc1ccc(F)cc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1cnc3ccccc3c1)CC2
InChIInChI=1S/C24H20FN5O2S/c25-16-5-6-18(26)20(11-16)29-23(31)21-10-15-7-8-30(13-22(15)33-21)24(32)28-17-9-14-3-1-2-4-19(14)27-12-17/h1-6,9-12H,7-8,13,26H2,(H,28,32)(H,29,31)
InChIKeyFTPJVLIHWPYDLU-UHFFFAOYSA-N
XLogP4.86
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (CID 66864338) is 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is Nc1ccc(F)cc1NC(=O)c1cc2c(s1)CN(C(=O)Nc1cnc3ccccc3c1)CC2.
What is the InChIKey of 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The InChIKey is FTPJVLIHWPYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c25-16-5-6-18(26)20(11-16)29-23(31)21-10-15-7-8-30(13-22(15)33-21)24(32)28-17-9-14-3-1-2-4-19(14)27-12-17/h1-6,9-12H,7-8,13,26H2,(H,28,32)(H,29,31).
What are the key properties of 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 66864338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).