2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

C17H15N3O2 — CID 6884328

IUPAC2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C17H15N3O2/c1-11-9-15(14-5-3-4-6-16(14)19-11)17(21)20-18-10-13-8-7-12(2)22-13/h3-10H,1-2H3,(H,20,21)/b18-10+
InChIKeyZWCUWEJDYDJEHB-VCHYOVAHSA-N
MW293.33 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6884328) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID6884328
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C17H15N3O2/c1-11-9-15(14-5-3-4-6-16(14)19-11)17(21)20-18-10-13-8-7-12(2)22-13/h3-10H,1-2H3,(H,20,21)/b18-10+
InChIKeyZWCUWEJDYDJEHB-VCHYOVAHSA-N
XLogP3.21
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.21
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

N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinolin-2-amine
CID 9659222
6-fluoro-N-(2-furylmethyl)-2-methyl-4-quinolinecarboxamide
CID 826914
N-(furan-2-ylmethyl)-2-methylquinoline-4-carboxamide
CID 2430333
N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2642647
N'-(2-furylmethylene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6873468
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
2-(4,6-dimethylquinolin-2-yl)sulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 9563307
N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-methylquinoline-4-carboxamide
CID 9659681
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (CID 6884328) is 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is ZWCUWEJDYDJEHB-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-9-15(14-5-3-4-6-16(14)19-11)17(21)20-18-10-13-8-7-12(2)22-13/h3-10H,1-2H3,(H,20,21)/b18-10+.
What are the key properties of 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6884328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).