(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol

C13H12ClNS — CID 82451346

IUPAC(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
SMILESSCc1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C13H12ClNS/c14-8-4-5-13-10(6-8)11(7-16)9-2-1-3-12(9)15-13/h4-6,16H,1-3,7H2
InChIKeyBQXXPIHHFIWOQM-UHFFFAOYSA-N
MW249.77 g/mol
LogP3.81
Rot. Bonds1

About (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol

(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol (PubChem CID 82451346) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol.

Molecular Properties

Compound Name(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
PubChem CID82451346
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
SMILESSCc1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C13H12ClNS/c14-8-4-5-13-10(6-8)11(7-16)9-2-1-3-12(9)15-13/h4-6,16H,1-3,7H2
InChIKeyBQXXPIHHFIWOQM-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol with MolForge

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Related Compounds

(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451972
(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
CID 82450476
N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
CID 82451364
(6,8-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451652
7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 62202376
2-chloro-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 2566475
7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 15993644
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636
(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82451478
7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786527
9-benzyl-7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 134913901
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The IUPAC name of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol (CID 82451346) is (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol.
What is the SMILES notation for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The canonical SMILES for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol is SCc1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The InChIKey is BQXXPIHHFIWOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c14-8-4-5-13-10(6-8)11(7-16)9-2-1-3-12(9)15-13/h4-6,16H,1-3,7H2.
What are the key properties of (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol has a molecular weight of 249.77 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol is sourced from PubChem (CID 82451346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).