2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile

C15H13ClN2 — CID 82451706

IUPAC2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
SMILESCc1c(Cl)ccc2c(CC#N)c3c(nc12)CCC3
InChIInChI=1S/C15H13ClN2/c1-9-13(16)6-5-12-10(7-8-17)11-3-2-4-14(11)18-15(9)12/h5-6H,2-4,7H2,1H3
InChIKeyWNIKDXMXXJQGLE-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.75
Rot. Bonds1

About 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile

2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile (PubChem CID 82451706) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
PubChem CID82451706
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
SMILESCc1c(Cl)ccc2c(CC#N)c3c(nc12)CCC3
InChIInChI=1S/C15H13ClN2/c1-9-13(16)6-5-12-10(7-8-17)11-3-2-4-14(11)18-15(9)12/h5-6H,2-4,7H2,1H3
InChIKeyWNIKDXMXXJQGLE-UHFFFAOYSA-N
XLogP3.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82451718
2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
CID 82451782
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
CID 84626490
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741
1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451762
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
6-fluoro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62196283
(5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanamine
CID 82449993
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
1-(5,6-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82450648
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
The IUPAC name of 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile (CID 82451706) is 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile.
What is the SMILES notation for 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
The canonical SMILES for 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile is Cc1c(Cl)ccc2c(CC#N)c3c(nc12)CCC3.
What is the InChIKey of 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
The InChIKey is WNIKDXMXXJQGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-9-13(16)6-5-12-10(7-8-17)11-3-2-4-14(11)18-15(9)12/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile?
2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile has a molecular weight of 256.74 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile is sourced from PubChem (CID 82451706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).