5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one

C16H14N4O3S — CID 71154092

IUPAC5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one
SMILESNc1cnc2ccc3c(c2c1Nc1ccc(=O)[nH]c1)CCS3(=O)=O
InChIInChI=1S/C16H14N4O3S/c17-11-8-18-12-2-3-13-10(5-6-24(13,22)23)15(12)16(11)20-9-1-4-14(21)19-7-9/h1-4,7-8H,5-6,17H2,(H,18,20)(H,19,21)
InChIKeyRYGMUHLICWLJNS-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.58
Rot. Bonds2

About 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one

5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one (PubChem CID 71154092) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one
PubChem CID71154092
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one
SMILESNc1cnc2ccc3c(c2c1Nc1ccc(=O)[nH]c1)CCS3(=O)=O
InChIInChI=1S/C16H14N4O3S/c17-11-8-18-12-2-3-13-10(5-6-24(13,22)23)15(12)16(11)20-9-1-4-14(21)19-7-9/h1-4,7-8H,5-6,17H2,(H,18,20)(H,19,21)
InChIKeyRYGMUHLICWLJNS-UHFFFAOYSA-N
XLogP1.58
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one?
The IUPAC name of 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one (CID 71154092) is 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one?
The canonical SMILES for 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one is Nc1cnc2ccc3c(c2c1Nc1ccc(=O)[nH]c1)CCS3(=O)=O.
What is the InChIKey of 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one?
The InChIKey is RYGMUHLICWLJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c17-11-8-18-12-2-3-13-10(5-6-24(13,22)23)15(12)16(11)20-9-1-4-14(21)19-7-9/h1-4,7-8H,5-6,17H2,(H,18,20)(H,19,21).
What are the key properties of 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one?
5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one has a molecular weight of 342.38 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-amino-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-yl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 71154092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).