9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline

C14H14ClNO — CID 61381987

IUPAC9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCCOc1cccc2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C14H14ClNO/c1-2-17-12-8-4-6-10-13(15)9-5-3-7-11(9)16-14(10)12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyIPKQYULTWQNRFN-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.78
Rot. Bonds2

About 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline

9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 61381987) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID61381987
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCCOc1cccc2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C14H14ClNO/c1-2-17-12-8-4-6-10-13(15)9-5-3-7-11(9)16-14(10)12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyIPKQYULTWQNRFN-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 61381987) is 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline is CCOc1cccc2c(Cl)c3c(nc12)CCC3.
What is the InChIKey of 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is IPKQYULTWQNRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-2-17-12-8-4-6-10-13(15)9-5-3-7-11(9)16-14(10)12/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 247.72 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 61381987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).