5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile

C13H12ClN3 — CID 82244207

IUPAC5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
SMILESCc1ccc(Cl)c2c(N(C)C)cc(C#N)nc12
InChIInChI=1S/C13H12ClN3/c1-8-4-5-10(14)12-11(17(2)3)6-9(7-15)16-13(8)12/h4-6H,1-3H3
InChIKeyYTEFDIJAYLTJGZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.13
Rot. Bonds1

About 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile

5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile (PubChem CID 82244207) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
PubChem CID82244207
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile
SMILESCc1ccc(Cl)c2c(N(C)C)cc(C#N)nc12
InChIInChI=1S/C13H12ClN3/c1-8-4-5-10(14)12-11(17(2)3)6-9(7-15)16-13(8)12/h4-6H,1-3H3
InChIKeyYTEFDIJAYLTJGZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile?
The IUPAC name of 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile (CID 82244207) is 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile?
The canonical SMILES for 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile is Cc1ccc(Cl)c2c(N(C)C)cc(C#N)nc12.
What is the InChIKey of 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile?
The InChIKey is YTEFDIJAYLTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c1-8-4-5-10(14)12-11(17(2)3)6-9(7-15)16-13(8)12/h4-6H,1-3H3.
What are the key properties of 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile?
5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile has a molecular weight of 245.71 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(dimethylamino)-8-methylquinoline-2-carbonitrile is sourced from PubChem (CID 82244207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).