N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine

C18H16ClN3 — CID 44537092

IUPACN-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
SMILESCc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C18H16ClN3/c1-12-7-8-17-15(9-12)18(10-13(2)21-17)22-20-11-14-5-3-4-6-16(14)19/h3-11H,1-2H3,(H,21,22)
InChIKeyYHJAKZPZWMYCAQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.95
Rot. Bonds3

About N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine

N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine (PubChem CID 44537092) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
PubChem CID44537092
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
SMILESCc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1
InChIInChI=1S/C18H16ClN3/c1-12-7-8-17-15(9-12)18(10-13(2)21-17)22-20-11-14-5-3-4-6-16(14)19/h3-11H,1-2H3,(H,21,22)
InChIKeyYHJAKZPZWMYCAQ-UHFFFAOYSA-N
XLogP4.95
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.95
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

3-[[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 3141483
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 3141487
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45480921
N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
CID 44537203
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
N-[(E)-(3-chlorophenyl)methylideneamino]-6-fluoro-2-methylquinolin-4-amine
CID 45481380
N-[(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 44537106
N-[(E)-(3-chlorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
CID 45480852
6-fluoro-N-[(3-fluorophenyl)methylideneamino]-2-methylquinolin-4-amine
CID 44537201
2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine
CID 45481257
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 2841967

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine (CID 44537092) is N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine is Cc1ccc2nc(C)cc(NN=Cc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
The InChIKey is YHJAKZPZWMYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-12-7-8-17-15(9-12)18(10-13(2)21-17)22-20-11-14-5-3-4-6-16(14)19/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine is sourced from PubChem (CID 44537092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).