3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C21H16N4O2S — CID 155811036

IUPAC3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc3ncccc23)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C21H16N4O2S/c22-18-13-10-12-16(7-2-8-17(12)26)25-21(13)28-19(18)20(27)24-15-6-1-5-14-11(15)4-3-9-23-14/h1,3-6,9-10H,2,7-8,22H2,(H,24,27)
InChIKeyKFKKRSBALKYFRK-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.20
Rot. Bonds2

About 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 155811036) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID155811036
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc3ncccc23)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C21H16N4O2S/c22-18-13-10-12-16(7-2-8-17(12)26)25-21(13)28-19(18)20(27)24-15-6-1-5-14-11(15)4-3-9-23-14/h1,3-6,9-10H,2,7-8,22H2,(H,24,27)
InChIKeyKFKKRSBALKYFRK-UHFFFAOYSA-N
XLogP4.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 155811036) is 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2cccc3ncccc23)sc2nc3c(cc12)C(=O)CCC3.
What is the InChIKey of 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is KFKKRSBALKYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c22-18-13-10-12-16(7-2-8-17(12)26)25-21(13)28-19(18)20(27)24-15-6-1-5-14-11(15)4-3-9-23-14/h1,3-6,9-10H,2,7-8,22H2,(H,24,27).
What are the key properties of 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-oxo-N-quinolin-5-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 155811036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).