4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine

C16H16N4 — CID 2852047

IUPAC4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
SMILESCc1cc(NN=Cc2cccn2C)nc2ccccc12
InChIInChI=1S/C16H16N4/c1-12-10-16(18-15-8-4-3-7-14(12)15)19-17-11-13-6-5-9-20(13)2/h3-11H,1-2H3,(H,18,19)
InChIKeyZLHHIHPNYXYSJM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.33
Rot. Bonds3

About 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine

4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine (PubChem CID 2852047) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
PubChem CID2852047
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
SMILESCc1cc(NN=Cc2cccn2C)nc2ccccc12
InChIInChI=1S/C16H16N4/c1-12-10-16(18-15-8-4-3-7-14(12)15)19-17-11-13-6-5-9-20(13)2/h3-11H,1-2H3,(H,18,19)
InChIKeyZLHHIHPNYXYSJM-UHFFFAOYSA-N
XLogP3.33
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
CID 42994964
5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
CID 135691152
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
3,7-dimethyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 3111132
3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135982526
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
4-methyl-N-phenylquinolin-2-amine
CID 616278
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6873662
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
The IUPAC name of 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine (CID 2852047) is 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine is Cc1cc(NN=Cc2cccn2C)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
The InChIKey is ZLHHIHPNYXYSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-10-16(18-15-8-4-3-7-14(12)15)19-17-11-13-6-5-9-20(13)2/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine?
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 2852047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).