4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine

C18H17N3 — CID 15352710

IUPAC4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
SMILESC/C(=N\Nc1cc(C)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H17N3/c1-13-12-18(19-17-11-7-6-10-16(13)17)21-20-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,19,21)/b20-14+
InChIKeyNEGOTEOVOYWXPI-XSFVSMFZSA-N
MW275.35 g/mol
LogP4.38
Rot. Bonds3

About 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine

4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine (PubChem CID 15352710) has the molecular formula C18H17N3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
PubChem CID15352710
Molecular FormulaC18H17N3
Molecular Weight275.35 g/mol
Exact Mass275.14
IUPAC Name4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
SMILESC/C(=N\Nc1cc(C)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H17N3/c1-13-12-18(19-17-11-7-6-10-16(13)17)21-20-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,19,21)/b20-14+
InChIKeyNEGOTEOVOYWXPI-XSFVSMFZSA-N
XLogP4.38
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135758857
N-(1-phenylethylideneamino)quinolin-2-amine
CID 618819
4-methyl-N-phenylquinolin-2-amine
CID 616278
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 16747364
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine?
The IUPAC name of 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine (CID 15352710) is 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine is C/C(=N\Nc1cc(C)c2ccccc2n1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine?
The InChIKey is NEGOTEOVOYWXPI-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H17N3/c1-13-12-18(19-17-11-7-6-10-16(13)17)21-20-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,19,21)/b20-14+.
What are the key properties of 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine?
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine has a molecular weight of 275.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine is sourced from PubChem (CID 15352710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).