4-(2-methylanilino)quinoline-3-carbonitrile

C17H13N3 — CID 10015424

IUPAC4-(2-methylanilino)quinoline-3-carbonitrile
SMILESCc1ccccc1Nc1c(C#N)cnc2ccccc12
InChIInChI=1S/C17H13N3/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,11H,1H3,(H,19,20)
InChIKeyINAVDORATLBDOJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.16
Rot. Bonds2

About 4-(2-methylanilino)quinoline-3-carbonitrile

4-(2-methylanilino)quinoline-3-carbonitrile (PubChem CID 10015424) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-methylanilino)quinoline-3-carbonitrile
PubChem CID10015424
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name4-(2-methylanilino)quinoline-3-carbonitrile
SMILESCc1ccccc1Nc1c(C#N)cnc2ccccc12
InChIInChI=1S/C17H13N3/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,11H,1H3,(H,19,20)
InChIKeyINAVDORATLBDOJ-UHFFFAOYSA-N
XLogP4.16
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(2,3-difluoroanilino)quinoline-3-carbonitrile
CID 61077022
4-(2-bromo-4-methylanilino)quinoline-3-carbonitrile
CID 43668917
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669106
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(5-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669136
4-(4-methylsulfanylanilino)quinoline-3-carbonitrile
CID 43668938
4-(2-bromo-5-fluoroanilino)quinoline-3-carbonitrile
CID 107635350
4-(propylamino)quinoline-3-carbonitrile
CID 43668866

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 4-(2-methylanilino)quinoline-3-carbonitrile (CID 10015424) is 4-(2-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-methylanilino)quinoline-3-carbonitrile is Cc1ccccc1Nc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-(2-methylanilino)quinoline-3-carbonitrile?
The InChIKey is INAVDORATLBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,11H,1H3,(H,19,20).
What are the key properties of 4-(2-methylanilino)quinoline-3-carbonitrile?
4-(2-methylanilino)quinoline-3-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 10015424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).