6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine

C23H18N4O3 — CID 44537075

IUPAC6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
SMILESCOc1ccc2nc(-c3ccccc3)cc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C23H18N4O3/c1-30-19-11-12-21-20(13-19)23(14-22(25-21)17-5-3-2-4-6-17)26-24-15-16-7-9-18(10-8-16)27(28)29/h2-15H,1H3,(H,25,26)
InChIKeyOATYICDRHKTTAM-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.26
Rot. Bonds6

About 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine

6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine (PubChem CID 44537075) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
PubChem CID44537075
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
SMILESCOc1ccc2nc(-c3ccccc3)cc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C23H18N4O3/c1-30-19-11-12-21-20(13-19)23(14-22(25-21)17-5-3-2-4-6-17)26-24-15-16-7-9-18(10-8-16)27(28)29/h2-15H,1H3,(H,25,26)
InChIKeyOATYICDRHKTTAM-UHFFFAOYSA-N
XLogP5.26
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 44537167
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol
CID 136766562
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
CID 4230749
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
N-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86340080
6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
CID 3714888

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine?
The IUPAC name of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine (CID 44537075) is 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine?
The canonical SMILES for 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine is COc1ccc2nc(-c3ccccc3)cc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1.
What is the InChIKey of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine?
The InChIKey is OATYICDRHKTTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-30-19-11-12-21-20(13-19)23(14-22(25-21)17-5-3-2-4-6-17)26-24-15-16-7-9-18(10-8-16)27(28)29/h2-15H,1H3,(H,25,26).
What are the key properties of 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine?
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine has a molecular weight of 398.42 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine is sourced from PubChem (CID 44537075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).