4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride

C19H18ClN3 — CID 44523617

IUPAC4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride
SMILESCc1cccc(C)c1CNc1ccnc2cc(C#N)ccc12.Cl
InChIInChI=1S/C19H17N3.ClH/c1-13-4-3-5-14(2)17(13)12-22-18-8-9-21-19-10-15(11-20)6-7-16(18)19;/h3-10H,12H2,1-2H3,(H,21,22);1H
InChIKeyGXDANMDHBSPARC-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.76
Rot. Bonds3

About 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride

4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride (PubChem CID 44523617) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride
PubChem CID44523617
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride
SMILESCc1cccc(C)c1CNc1ccnc2cc(C#N)ccc12.Cl
InChIInChI=1S/C19H17N3.ClH/c1-13-4-3-5-14(2)17(13)12-22-18-8-9-21-19-10-15(11-20)6-7-16(18)19;/h3-10H,12H2,1-2H3,(H,21,22);1H
InChIKeyGXDANMDHBSPARC-UHFFFAOYSA-N
XLogP4.76
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride?
The IUPAC name of 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride (CID 44523617) is 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride?
The canonical SMILES for 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride is Cc1cccc(C)c1CNc1ccnc2cc(C#N)ccc12.Cl.
What is the InChIKey of 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride?
The InChIKey is GXDANMDHBSPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3.ClH/c1-13-4-3-5-14(2)17(13)12-22-18-8-9-21-19-10-15(11-20)6-7-16(18)19;/h3-10H,12H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride?
4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenyl)methylamino]quinoline-7-carbonitrile;hydrochloride is sourced from PubChem (CID 44523617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).