6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine

C22H18N4 — CID 44537083

IUPAC6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine
SMILESCc1ccc2nc(-c3ccccc3)cc(NN=Cc3cccnc3)c2c1
InChIInChI=1S/C22H18N4/c1-16-9-10-20-19(12-16)22(26-24-15-17-6-5-11-23-14-17)13-21(25-20)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,26)
InChIKeyZPXOOXKKDQVOEE-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.05
Rot. Bonds4

About 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine

6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine (PubChem CID 44537083) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine.

Molecular Properties

Compound Name6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine
PubChem CID44537083
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine
SMILESCc1ccc2nc(-c3ccccc3)cc(NN=Cc3cccnc3)c2c1
InChIInChI=1S/C22H18N4/c1-16-9-10-20-19(12-16)22(26-24-15-17-6-5-11-23-14-17)13-21(25-20)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,26)
InChIKeyZPXOOXKKDQVOEE-UHFFFAOYSA-N
XLogP5.05
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-2-phenylquinolin-4-yl)hydrazine
CID 62252637
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092
6-methyl-2-pyridin-3-ylquinoline-4-carbonitrile
CID 177296669

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine?
The IUPAC name of 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine (CID 44537083) is 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine.
What is the SMILES notation for 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine?
The canonical SMILES for 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine is Cc1ccc2nc(-c3ccccc3)cc(NN=Cc3cccnc3)c2c1.
What is the InChIKey of 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine?
The InChIKey is ZPXOOXKKDQVOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-16-9-10-20-19(12-16)22(26-24-15-17-6-5-11-23-14-17)13-21(25-20)18-7-3-2-4-8-18/h2-15H,1H3,(H,25,26).
What are the key properties of 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine?
6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-N-(pyridin-3-ylmethylideneamino)quinolin-4-amine is sourced from PubChem (CID 44537083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).