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

C28H20N4O4 — CID 126050287

IUPACN-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C28H20N4O4/c1-18-15-20(32(34)35)11-13-22(18)27-14-12-21(36-27)17-29-31-28(33)24-16-26(19-7-3-2-4-8-19)30-25-10-6-5-9-23(24)25/h2-17H,1H3,(H,31,33)/b29-17-
InChIKeyZYRLAJZINCNUFR-RHANQZHGSA-N
MW476.49 g/mol
LogP6.14
Rot. Bonds6

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

N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 126050287) has the molecular formula C28H20N4O4 and a molecular weight of 476.49 g/mol. Its IUPAC name is N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID126050287
Molecular FormulaC28H20N4O4
Molecular Weight476.49 g/mol
Exact Mass476.15
IUPAC NameN-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C28H20N4O4/c1-18-15-20(32(34)35)11-13-22(18)27-14-12-21(36-27)17-29-31-28(33)24-16-26(19-7-3-2-4-8-19)30-25-10-6-5-9-23(24)25/h2-17H,1H3,(H,31,33)/b29-17-
InChIKeyZYRLAJZINCNUFR-RHANQZHGSA-N
XLogP6.14
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.49
LogP ≤ 56.14
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

3-methyl-4-[5-[(E)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126040726
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054425
N-[(Z)-[5-(5-chloro-2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045050
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126042034
2-methyl-N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carboxamide
CID 6038632
2-methyl-N-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carboxamide
CID 4214212
N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 126176833
N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 21214593
N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048923
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 6873636
2-(4-tert-butylphenyl)-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]quinoline-4-carboxamide
CID 6007197

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide (CID 126050287) is N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1.
What is the InChIKey of N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is ZYRLAJZINCNUFR-RHANQZHGSA-N. The full InChI is InChI=1S/C28H20N4O4/c1-18-15-20(32(34)35)11-13-22(18)27-14-12-21(36-27)17-29-31-28(33)24-16-26(19-7-3-2-4-8-19)30-25-10-6-5-9-23(24)25/h2-17H,1H3,(H,31,33)/b29-17-.
What are the key properties of N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 126050287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).