6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile

C18H19N5 — CID 133431926

IUPAC6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N(C)Cc3nccn3C)c2c1
InChIInChI=1S/C18H19N5/c1-12-7-13(2)17-15(8-12)18(14(9-19)10-21-17)23(4)11-16-20-5-6-22(16)3/h5-8,10H,11H2,1-4H3
InChIKeyCTSXVHUTZJYTIK-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.09
Rot. Bonds3

About 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile

6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile (PubChem CID 133431926) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
PubChem CID133431926
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N(C)Cc3nccn3C)c2c1
InChIInChI=1S/C18H19N5/c1-12-7-13(2)17-15(8-12)18(14(9-19)10-21-17)23(4)11-16-20-5-6-22(16)3/h5-8,10H,11H2,1-4H3
InChIKeyCTSXVHUTZJYTIK-UHFFFAOYSA-N
XLogP3.09
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile (CID 133431926) is 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(N(C)Cc3nccn3C)c2c1.
What is the InChIKey of 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
The InChIKey is CTSXVHUTZJYTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-7-13(2)17-15(8-12)18(14(9-19)10-21-17)23(4)11-16-20-5-6-22(16)3/h5-8,10H,11H2,1-4H3.
What are the key properties of 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile?
6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile has a molecular weight of 305.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 133431926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).