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

C19H19N3O2 — CID 6874900

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide
SMILESCCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-3-6-14-11-17(16-7-4-5-8-18(16)21-14)19(23)22-20-12-15-10-9-13(2)24-15/h4-5,7-12H,3,6H2,1-2H3,(H,22,23)/b20-12+
InChIKeyMIGGHAVVICNIJH-UDWIEESQSA-N
MW321.38 g/mol
LogP3.85
Rot. Bonds5

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

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide (PubChem CID 6874900) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide
PubChem CID6874900
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide
SMILESCCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIInChI=1S/C19H19N3O2/c1-3-6-14-11-17(16-7-4-5-8-18(16)21-14)19(23)22-20-12-15-10-9-13(2)24-15/h4-5,7-12H,3,6H2,1-2H3,(H,22,23)/b20-12+
InChIKeyMIGGHAVVICNIJH-UDWIEESQSA-N
XLogP3.85
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.85
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
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-ylmethylidene]acetohydrazide
CID 9563307
N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
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
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide (CID 6874900) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide is CCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide?
The InChIKey is MIGGHAVVICNIJH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-6-14-11-17(16-7-4-5-8-18(16)21-14)19(23)22-20-12-15-10-9-13(2)24-15/h4-5,7-12H,3,6H2,1-2H3,(H,22,23)/b20-12+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-propylquinoline-4-carboxamide is sourced from PubChem (CID 6874900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).