N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

C28H20N4O5 — CID 126054425

IUPACN-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C28H20N4O5/c1-36-19-11-13-22(26(15-19)32(34)35)27-14-12-20(37-27)17-29-31-28(33)23-16-25(18-7-3-2-4-8-18)30-24-10-6-5-9-21(23)24/h2-17H,1H3,(H,31,33)/b29-17-
InChIKeyVPMFSWZGPPBAIE-RHANQZHGSA-N
MW492.49 g/mol
LogP5.84
Rot. Bonds7

About N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126054425) has the molecular formula C28H20N4O5 and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126054425
Molecular FormulaC28H20N4O5
Molecular Weight492.49 g/mol
Exact Mass492.14
IUPAC NameN-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C28H20N4O5/c1-36-19-11-13-22(26(15-19)32(34)35)27-14-12-20(37-27)17-29-31-28(33)23-16-25(18-7-3-2-4-8-18)30-24-10-6-5-9-21(23)24/h2-17H,1H3,(H,31,33)/b29-17-
InChIKeyVPMFSWZGPPBAIE-RHANQZHGSA-N
XLogP5.84
TPSA119.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126050287
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479
3-methyl-4-[5-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126040726
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711
N-[(Z)-[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045050
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2357095
4-bromo-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126338945
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide
CID 126152303

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126054425) is N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is COc1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is VPMFSWZGPPBAIE-RHANQZHGSA-N. The full InChI is InChI=1S/C28H20N4O5/c1-36-19-11-13-22(26(15-19)32(34)35)27-14-12-20(37-27)17-29-31-28(33)23-16-25(18-7-3-2-4-8-18)30-24-10-6-5-9-21(23)24/h2-17H,1H3,(H,31,33)/b29-17-.
What are the key properties of N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 492.49 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126054425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).