6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide

C15H16N2S — CID 82450847

IUPAC6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide
SMILESCc1cc(C)c2c(C(N)=S)c3c(nc2c1)CCC3
InChIInChI=1S/C15H16N2S/c1-8-6-9(2)13-12(7-8)17-11-5-3-4-10(11)14(13)15(16)18/h6-7H,3-5H2,1-2H3,(H2,16,18)
InChIKeyDWSDNOILSGRUQU-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.97
Rot. Bonds1

About 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide

6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide (PubChem CID 82450847) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide.

Molecular Properties

Compound Name6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide
PubChem CID82450847
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide
SMILESCc1cc(C)c2c(C(N)=S)c3c(nc2c1)CCC3
InChIInChI=1S/C15H16N2S/c1-8-6-9(2)13-12(7-8)17-11-5-3-4-10(11)14(13)15(16)18/h6-7H,3-5H2,1-2H3,(H2,16,18)
InChIKeyDWSDNOILSGRUQU-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381881
(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250780
2-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82450852
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
1-(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)-N-methylmethanamine
CID 82450873
5,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboximidamide
CID 82450740
2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbohydrazide
CID 82450941
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202448
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
(2-ethyl-7,9-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450935
7-bromo-6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107578671
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide?
The IUPAC name of 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide (CID 82450847) is 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide.
What is the SMILES notation for 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide?
The canonical SMILES for 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide is Cc1cc(C)c2c(C(N)=S)c3c(nc2c1)CCC3.
What is the InChIKey of 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide?
The InChIKey is DWSDNOILSGRUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-8-6-9(2)13-12(7-8)17-11-5-3-4-10(11)14(13)15(16)18/h6-7H,3-5H2,1-2H3,(H2,16,18).
What are the key properties of 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide?
6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide has a molecular weight of 256.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbothioamide is sourced from PubChem (CID 82450847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).