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

C14H15NOS — CID 82451972

IUPAC(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
SMILESCOc1ccc2nc3c(c(CS)c2c1)CCC3
InChIInChI=1S/C14H15NOS/c1-16-9-5-6-14-11(7-9)12(8-17)10-3-2-4-13(10)15-14/h5-7,17H,2-4,8H2,1H3
InChIKeyHBOCXANQRQXUIW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.16
Rot. Bonds2

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

(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol (PubChem CID 82451972) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol.

Molecular Properties

Compound Name(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
PubChem CID82451972
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
SMILESCOc1ccc2nc3c(c(CS)c2c1)CCC3
InChIInChI=1S/C14H15NOS/c1-16-9-5-6-14-11(7-9)12(8-17)10-3-2-4-13(10)15-14/h5-7,17H,2-4,8H2,1H3
InChIKeyHBOCXANQRQXUIW-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
CID 82452003
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451346
3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82452010
(7-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methanethiol
CID 82450476
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
CID 22367590
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
6,9-dimethoxy-1,2,3,4-tetrahydroacridine
CID 71019681
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
CID 166382730

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The IUPAC name of (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol (CID 82451972) is (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol.
What is the SMILES notation for (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The canonical SMILES for (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol is COc1ccc2nc3c(c(CS)c2c1)CCC3.
What is the InChIKey of (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
The InChIKey is HBOCXANQRQXUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-16-9-5-6-14-11(7-9)12(8-17)10-3-2-4-13(10)15-14/h5-7,17H,2-4,8H2,1H3.
What are the key properties of (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol?
(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol has a molecular weight of 245.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol is sourced from PubChem (CID 82451972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).