5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile

C15H14N2 — CID 82450100

IUPAC5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
SMILESCCc1cccc2c(C#N)c3c(nc12)CCC3
InChIInChI=1S/C15H14N2/c1-2-10-5-3-7-12-13(9-16)11-6-4-8-14(11)17-15(10)12/h3,5,7H,2,4,6,8H2,1H3
InChIKeyPZWKGWZGUXEJGS-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.16
Rot. Bonds1

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

5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile (PubChem CID 82450100) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile.

Molecular Properties

Compound Name5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
PubChem CID82450100
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
SMILESCCc1cccc2c(C#N)c3c(nc12)CCC3
InChIInChI=1S/C15H14N2/c1-2-10-5-3-7-12-13(9-16)11-6-4-8-14(11)17-15(10)12/h3,5,7H,2,4,6,8H2,1H3
InChIKeyPZWKGWZGUXEJGS-UHFFFAOYSA-N
XLogP3.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
1-(5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanamine
CID 82450132
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837
2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82450077
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450145
5-(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82450160
7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450301
5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408868
(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]naphthyridine-10-carbaldehyde
CID 82450170
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile?
The IUPAC name of 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile (CID 82450100) is 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile.
What is the SMILES notation for 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile?
The canonical SMILES for 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile is CCc1cccc2c(C#N)c3c(nc12)CCC3.
What is the InChIKey of 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile?
The InChIKey is PZWKGWZGUXEJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-10-5-3-7-12-13(9-16)11-6-4-8-14(11)17-15(10)12/h3,5,7H,2,4,6,8H2,1H3.
What are the key properties of 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile?
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile is sourced from PubChem (CID 82450100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).