11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one

C16H14N2OS — CID 10333982

IUPAC11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one
SMILESCC1CCc2nc3sc4ccccc4c3c(N)c2C1=O
InChIInChI=1S/C16H14N2OS/c1-8-6-7-10-13(15(8)19)14(17)12-9-4-2-3-5-11(9)20-16(12)18-10/h2-5,8H,6-7H2,1H3,(H2,17,18)
InChIKeyKCFSPKSSRQDYFQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.80
Rot. Bonds

About 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one

11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one (PubChem CID 10333982) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one.

Molecular Properties

Compound Name11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one
PubChem CID10333982
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one
SMILESCC1CCc2nc3sc4ccccc4c3c(N)c2C1=O
InChIInChI=1S/C16H14N2OS/c1-8-6-7-10-13(15(8)19)14(17)12-9-4-2-3-5-11(9)20-16(12)18-10/h2-5,8H,6-7H2,1H3,(H2,17,18)
InChIKeyKCFSPKSSRQDYFQ-UHFFFAOYSA-N
XLogP3.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one?
The IUPAC name of 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one (CID 10333982) is 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one.
What is the SMILES notation for 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one?
The canonical SMILES for 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one is CC1CCc2nc3sc4ccccc4c3c(N)c2C1=O.
What is the InChIKey of 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one?
The InChIKey is KCFSPKSSRQDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-8-6-7-10-13(15(8)19)14(17)12-9-4-2-3-5-11(9)20-16(12)18-10/h2-5,8H,6-7H2,1H3,(H2,17,18).
What are the key properties of 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one?
11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one has a molecular weight of 282.37 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one is sourced from PubChem (CID 10333982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).