3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one

C18H14N2O2S — CID 797561

IUPAC3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
SMILESNc1c(C(=O)c2ccccc2)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C18H14N2O2S/c19-15-12-9-11-13(7-4-8-14(11)21)20-18(12)23-17(15)16(22)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,19H2
InChIKeyQBCIDOFNASELCM-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.63
Rot. Bonds2

About 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one

3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one (PubChem CID 797561) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one.

Molecular Properties

Compound Name3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
PubChem CID797561
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
SMILESNc1c(C(=O)c2ccccc2)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C18H14N2O2S/c19-15-12-9-11-13(7-4-8-14(11)21)20-18(12)23-17(15)16(22)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,19H2
InChIKeyQBCIDOFNASELCM-UHFFFAOYSA-N
XLogP3.63
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one?
The IUPAC name of 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one (CID 797561) is 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one.
What is the SMILES notation for 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one?
The canonical SMILES for 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one is Nc1c(C(=O)c2ccccc2)sc2nc3c(cc12)C(=O)CCC3.
What is the InChIKey of 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one?
The InChIKey is QBCIDOFNASELCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c19-15-12-9-11-13(7-4-8-14(11)21)20-18(12)23-17(15)16(22)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,19H2.
What are the key properties of 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one?
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one has a molecular weight of 322.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one is sourced from PubChem (CID 797561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).