3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile

C18H15N3 — CID 62980889

IUPAC3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile
SMILESCc1cc(N(C)c2cccc(C#N)c2)c2ccccc2n1
InChIInChI=1S/C18H15N3/c1-13-10-18(16-8-3-4-9-17(16)20-13)21(2)15-7-5-6-14(11-15)12-19/h3-11H,1-2H3
InChIKeyBBGTUAMZQCNMBS-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.18
Rot. Bonds2

About 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile

3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile (PubChem CID 62980889) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile
PubChem CID62980889
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile
SMILESCc1cc(N(C)c2cccc(C#N)c2)c2ccccc2n1
InChIInChI=1S/C18H15N3/c1-13-10-18(16-8-3-4-9-17(16)20-13)21(2)15-7-5-6-14(11-15)12-19/h3-11H,1-2H3
InChIKeyBBGTUAMZQCNMBS-UHFFFAOYSA-N
XLogP4.18
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tacrine
CID 1935
Proflavine
CID 7099
Acridine
CID 9215
Pyrvinium
CID 5281035
Acridine Orange Base
CID 62344
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
3,6-Diamino-10-methylacridinium Chloride
CID 6842
9-Aminoacridine hydrochloride
CID 8643
2-Phenylquinoline
CID 71545

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile (CID 62980889) is 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile is Cc1cc(N(C)c2cccc(C#N)c2)c2ccccc2n1.
What is the InChIKey of 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile?
The InChIKey is BBGTUAMZQCNMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-10-18(16-8-3-4-9-17(16)20-13)21(2)15-7-5-6-14(11-15)12-19/h3-11H,1-2H3.
What are the key properties of 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile?
3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methylquinolin-4-yl)amino]benzonitrile is sourced from PubChem (CID 62980889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).