2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile

C16H15ClN2 — CID 82451782

IUPAC2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
SMILESCc1cc(Cl)cc2c(CC#N)c3c(nc12)CCCC3
InChIInChI=1S/C16H15ClN2/c1-10-8-11(17)9-14-12(6-7-18)13-4-2-3-5-15(13)19-16(10)14/h8-9H,2-6H2,1H3
InChIKeyLFWOTNFIZFPHMW-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.14
Rot. Bonds1

About 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile

2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile (PubChem CID 82451782) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
PubChem CID82451782
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
SMILESCc1cc(Cl)cc2c(CC#N)c3c(nc12)CCCC3
InChIInChI=1S/C16H15ClN2/c1-10-8-11(17)9-14-12(6-7-18)13-4-2-3-5-15(13)19-16(10)14/h8-9H,2-6H2,1H3
InChIKeyLFWOTNFIZFPHMW-UHFFFAOYSA-N
XLogP4.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82451706
3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82451847
(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63482072
7-chloro-5-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63480982
2-(7-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82450438
7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 82451849
N-[(5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-2-amine
CID 82451593
2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid
CID 82451803
2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480718
8-chloro-N-ethyl-6-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473178
5,7-dichloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202722
11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55185807

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile (CID 82451782) is 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile is Cc1cc(Cl)cc2c(CC#N)c3c(nc12)CCCC3.
What is the InChIKey of 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile?
The InChIKey is LFWOTNFIZFPHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-10-8-11(17)9-14-12(6-7-18)13-4-2-3-5-15(13)19-16(10)14/h8-9H,2-6H2,1H3.
What are the key properties of 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile?
2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile is sourced from PubChem (CID 82451782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).