9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline

C15H16ClN — CID 82450114

IUPAC9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCCc1cccc2c(CCl)c3c(nc12)CCC3
InChIInChI=1S/C15H16ClN/c1-2-10-5-3-7-12-13(9-16)11-6-4-8-14(11)17-15(10)12/h3,5,7H,2,4,6,8-9H2,1H3
InChIKeySTJJUNNCLVOEQH-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.02
Rot. Bonds2

About 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline

9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 82450114) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID82450114
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCCc1cccc2c(CCl)c3c(nc12)CCC3
InChIInChI=1S/C15H16ClN/c1-2-10-5-3-7-12-13(9-16)11-6-4-8-14(11)17-15(10)12/h3,5,7H,2,4,6,8-9H2,1H3
InChIKeySTJJUNNCLVOEQH-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450145
1-(5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82450132
(5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanamine
CID 82449993
5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450160
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82450181
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
(2,6-diethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450203
N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
CID 82451207
5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408868
N-[(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450173
N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450215

Frequently Asked Questions

What is the IUPAC name of 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 82450114) is 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline is CCc1cccc2c(CCl)c3c(nc12)CCC3.
What is the InChIKey of 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is STJJUNNCLVOEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-2-10-5-3-7-12-13(9-16)11-6-4-8-14(11)17-15(10)12/h3,5,7H,2,4,6,8-9H2,1H3.
What are the key properties of 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 245.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 82450114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).