2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide

C22H17N3O2 — CID 6906616

IUPAC2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H17N3O2/c1-15-7-2-3-8-16(15)14-23-25-22(26)18-13-20(21-11-6-12-27-21)24-19-10-5-4-9-17(18)19/h2-14H,1H3,(H,25,26)/b23-14+
InChIKeyFEBNMXLXLRDCQW-OEAKJJBVSA-N
MW355.40 g/mol
LogP4.57
Rot. Bonds4

About 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide

2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6906616) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6906616
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C22H17N3O2/c1-15-7-2-3-8-16(15)14-23-25-22(26)18-13-20(21-11-6-12-27-21)24-19-10-5-4-9-17(18)19/h2-14H,1H3,(H,25,26)/b23-14+
InChIKeyFEBNMXLXLRDCQW-OEAKJJBVSA-N
XLogP4.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 5455193
2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide
CID 137291848
2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 9214487
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135747838
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135577198
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(2,4-dimethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 694750
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 5432429
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide (CID 6906616) is 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide is Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is FEBNMXLXLRDCQW-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-7-2-3-8-16(15)14-23-25-22(26)18-13-20(21-11-6-12-27-21)24-19-10-5-4-9-17(18)19/h2-14H,1H3,(H,25,26)/b23-14+.
What are the key properties of 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6906616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).