N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide

C22H17N3O3 — CID 6873468

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N/N=C/c3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C22H17N3O3/c1-27-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(26)25-23-14-17-8-5-11-28-17/h2-14H,1H3,(H,25,26)/b23-14+
InChIKeyCFKFVTNIRXFRQR-OEAKJJBVSA-N
MW371.40 g/mol
LogP4.27
Rot. Bonds5

About N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 6873468) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID6873468
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N/N=C/c3ccco3)c3ccccc3n2)c1
InChIInChI=1S/C22H17N3O3/c1-27-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(26)25-23-14-17-8-5-11-28-17/h2-14H,1H3,(H,25,26)/b23-14+
InChIKeyCFKFVTNIRXFRQR-OEAKJJBVSA-N
XLogP4.27
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
2-[(E)-[[2-(2-furyl)quinoline-4-carbonyl]hydrazono]methyl]benzoic acid
CID 6906548
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2642647
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
N-[(E)-Furan-2-ylmethylideneamino]-8-methoxy-2-methylquinolin-4-amine
CID 9594986
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-methylquinoline-4-carboxamide
CID 9659681
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
CID 757764

Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 6873468) is N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)N/N=C/c3ccco3)c3ccccc3n2)c1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CFKFVTNIRXFRQR-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-27-16-7-4-6-15(12-16)21-13-19(18-9-2-3-10-20(18)24-21)22(26)25-23-14-17-8-5-11-28-17/h2-14H,1H3,(H,25,26)/b23-14+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6873468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).