3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one

C20H18N2O2S — CID 1326491

IUPAC3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one
SMILESCC1(C)CC(=O)c2cc3c(N)c(C(=O)c4ccccc4)sc3nc2C1
InChIInChI=1S/C20H18N2O2S/c1-20(2)9-14-12(15(23)10-20)8-13-16(21)18(25-19(13)22-14)17(24)11-6-4-3-5-7-11/h3-8H,9-10,21H2,1-2H3
InChIKeyHFJBBHXQMIDHLG-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.26
Rot. Bonds2

About 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one

3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one (PubChem CID 1326491) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one.

Molecular Properties

Compound Name3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one
PubChem CID1326491
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one
SMILESCC1(C)CC(=O)c2cc3c(N)c(C(=O)c4ccccc4)sc3nc2C1
InChIInChI=1S/C20H18N2O2S/c1-20(2)9-14-12(15(23)10-20)8-13-16(21)18(25-19(13)22-14)17(24)11-6-4-3-5-7-11/h3-8H,9-10,21H2,1-2H3
InChIKeyHFJBBHXQMIDHLG-UHFFFAOYSA-N
XLogP4.26
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one with MolForge

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Related Compounds

3-amino-7,7-dimethyl-N-(2-methylphenyl)-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 1330576
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561
3-amino-7,7-dimethyl-2-(pyrrolidine-1-carbonyl)-6,8-dihydrothieno[2,3-b]quinolin-5-one
CID 4651199
3-amino-N-tert-butyl-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 3767421
3-amino-7,7-dimethyl-N-(2-nitrophenyl)-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
CID 2941552
3-amino-N-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
CID 1387507
(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one
CID 27210714
[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone
CID 124585248
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(3-bromophenyl)methanone
CID 23823851
(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone
CID 171133135
1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
CID 972826
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
CID 1333149

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one?
The IUPAC name of 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one (CID 1326491) is 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one.
What is the SMILES notation for 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one?
The canonical SMILES for 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one is CC1(C)CC(=O)c2cc3c(N)c(C(=O)c4ccccc4)sc3nc2C1.
What is the InChIKey of 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one?
The InChIKey is HFJBBHXQMIDHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-20(2)9-14-12(15(23)10-20)8-13-16(21)18(25-19(13)22-14)17(24)11-6-4-3-5-7-11/h3-8H,9-10,21H2,1-2H3.
What are the key properties of 3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one?
3-amino-2-benzoyl-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one has a molecular weight of 350.44 g/mol, XLogP of 4.26, 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-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinolin-5-one is sourced from PubChem (CID 1326491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).