2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine

C17H14N4O2 — CID 45480921

IUPAC2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESCc1cc(N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-12-10-16(14-7-3-4-8-15(14)19-12)20-18-11-13-6-2-5-9-17(13)21(22)23/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyKIJUIJBRJUCSLX-WOJGMQOQSA-N
MW306.33 g/mol
LogP3.90
Rot. Bonds4

About 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine

2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine (PubChem CID 45480921) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
PubChem CID45480921
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESCc1cc(N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2n1
InChIInChI=1S/C17H14N4O2/c1-12-10-16(14-7-3-4-8-15(14)19-12)20-18-11-13-6-2-5-9-17(13)21(22)23/h2-11H,1H3,(H,19,20)/b18-11+
InChIKeyKIJUIJBRJUCSLX-WOJGMQOQSA-N
XLogP3.90
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
4-N-[(E)-(2-nitrophenyl)methylideneamino]-1-N-[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 92534203
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 1420710
N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
CID 44537203
5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262
3-(3-methoxypropyl)-2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299243
2-[(E)-[(2,8-dimethylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 135537322
4-(4-methylphenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]-5-phenyl-1,3-thiazol-2-amine
CID 94848941
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine (CID 45480921) is 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine is Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is KIJUIJBRJUCSLX-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12-10-16(14-7-3-4-8-15(14)19-12)20-18-11-13-6-2-5-9-17(13)21(22)23/h2-11H,1H3,(H,19,20)/b18-11+.
What are the key properties of 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine?
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine has a molecular weight of 306.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 45480921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).