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

C14H14ClN — CID 61381881

IUPAC9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCc1cc(C)c2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C14H14ClN/c1-8-6-9(2)13-12(7-8)16-11-5-3-4-10(11)14(13)15/h6-7H,3-5H2,1-2H3
InChIKeyPXNCOJVQJUDFCK-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.99
Rot. Bonds

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

9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 61381881) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID61381881
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCc1cc(C)c2c(Cl)c3c(nc2c1)CCC3
InChIInChI=1S/C14H14ClN/c1-8-6-9(2)13-12(7-8)16-11-5-3-4-10(11)14(13)15/h6-7H,3-5H2,1-2H3
InChIKeyPXNCOJVQJUDFCK-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 61381881) is 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline is Cc1cc(C)c2c(Cl)c3c(nc2c1)CCC3.
What is the InChIKey of 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is PXNCOJVQJUDFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-8-6-9(2)13-12(7-8)16-11-5-3-4-10(11)14(13)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 231.73 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 61381881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).