6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile

C13H12ClN3 — CID 82244214

IUPAC6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile
SMILESCc1cc(Cl)cc2c(N(C)C)c(C#N)cnc12
InChIInChI=1S/C13H12ClN3/c1-8-4-10(14)5-11-12(8)16-7-9(6-15)13(11)17(2)3/h4-5,7H,1-3H3
InChIKeyWFVBICJDOPGJRB-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.13
Rot. Bonds1

About 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile

6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile (PubChem CID 82244214) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile
PubChem CID82244214
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile
SMILESCc1cc(Cl)cc2c(N(C)C)c(C#N)cnc12
InChIInChI=1S/C13H12ClN3/c1-8-4-10(14)5-11-12(8)16-7-9(6-15)13(11)17(2)3/h4-5,7H,1-3H3
InChIKeyWFVBICJDOPGJRB-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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Related Compounds

8-chloro-4-(dimethylamino)quinoline-3-carbonitrile
CID 82242893
4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133319158
6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
CID 133431926
6-chloro-4-methoxy-3,8-dimethylquinoline
CID 129268371
6-chloro-8-methyl-2-propan-2-ylquinoline-4-carbonitrile
CID 82449599
4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 11666049
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile
CID 167727426
6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile
CID 62872646
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile (CID 82244214) is 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile is Cc1cc(Cl)cc2c(N(C)C)c(C#N)cnc12.
What is the InChIKey of 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile?
The InChIKey is WFVBICJDOPGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c1-8-4-10(14)5-11-12(8)16-7-9(6-15)13(11)17(2)3/h4-5,7H,1-3H3.
What are the key properties of 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile?
6-chloro-4-(dimethylamino)-8-methylquinoline-3-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 6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile is sourced from PubChem (CID 82244214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).