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

C24H20FN5O2S — CID 66864802

IUPAC3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1sc2c(c1-c1cc(F)ccc1N)CCN(C(=O)Nc1cnc3ccccc3c1)C2
InChIInChI=1S/C24H20FN5O2S/c25-14-5-6-18(26)17(10-14)21-16-7-8-30(12-20(16)33-22(21)23(27)31)24(32)29-15-9-13-3-1-2-4-19(13)28-11-15/h1-6,9-11H,7-8,12,26H2,(H2,27,31)(H,29,32)
InChIKeyIVPOFPYHISIPHU-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.37
Rot. Bonds3

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

3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (PubChem CID 66864802) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
PubChem CID66864802
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC Name3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide
SMILESNC(=O)c1sc2c(c1-c1cc(F)ccc1N)CCN(C(=O)Nc1cnc3ccccc3c1)C2
InChIInChI=1S/C24H20FN5O2S/c25-14-5-6-18(26)17(10-14)21-16-7-8-30(12-20(16)33-22(21)23(27)31)24(32)29-15-9-13-3-1-2-4-19(13)28-11-15/h1-6,9-11H,7-8,12,26H2,(H2,27,31)(H,29,32)
InChIKeyIVPOFPYHISIPHU-UHFFFAOYSA-N
XLogP4.37
TPSA114.34 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 ≤ 54.37
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 3-(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 3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide (CID 66864802) is 3-(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 3-(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 3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide is NC(=O)c1sc2c(c1-c1cc(F)ccc1N)CCN(C(=O)Nc1cnc3ccccc3c1)C2.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
The InChIKey is IVPOFPYHISIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c25-14-5-6-18(26)17(10-14)21-16-7-8-30(12-20(16)33-22(21)23(27)31)24(32)29-15-9-13-3-1-2-4-19(13)28-11-15/h1-6,9-11H,7-8,12,26H2,(H2,27,31)(H,29,32).
What are the key properties of 3-(2-amino-5-fluorophenyl)-6-N-quinolin-3-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxamide?
3-(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 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(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 66864802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).