2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile

C13H11ClN2 — CID 84626490

IUPAC2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
SMILESCc1cc(CC#N)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C13H11ClN2/c1-8-7-10(5-6-15)16-13-9(2)12(14)4-3-11(8)13/h3-4,7H,5H2,1-2H3
InChIKeyWUWONFRVSAYOED-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.57
Rot. Bonds1

About 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile

2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile (PubChem CID 84626490) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
PubChem CID84626490
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
SMILESCc1cc(CC#N)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C13H11ClN2/c1-8-7-10(5-6-15)16-13-9(2)12(14)4-3-11(8)13/h3-4,7H,5H2,1-2H3
InChIKeyWUWONFRVSAYOED-UHFFFAOYSA-N
XLogP3.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518
2-(6-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetonitrile
CID 82451706
2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
CID 84619654
7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84639663
1-(7,8-dichloro-4-methylquinolin-2-yl)-2-methylpropan-2-amine
CID 82577306
2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
CID 82448419
2-(7,8-dichloro-4-methylquinolin-2-yl)acetamide
CID 82575368
2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84642426
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-(7-chloro-8-methylquinolin-4-yl)oxyacetonitrile
CID 53269576
(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82449533

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile (CID 84626490) is 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile is Cc1cc(CC#N)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile?
The InChIKey is WUWONFRVSAYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-8-7-10(5-6-15)16-13-9(2)12(14)4-3-11(8)13/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile?
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile has a molecular weight of 230.70 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile is sourced from PubChem (CID 84626490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).