2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

C25H23N3O3 — CID 4142263

IUPAC2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)o3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H23N3O3/c1-4-30-19-10-7-18(8-11-19)24-14-22(21-13-16(2)5-12-23(21)27-24)25(29)28-26-15-20-9-6-17(3)31-20/h5-15H,4H2,1-3H3,(H,28,29)
InChIKeyNFSBGVXGYOAUGB-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.27
Rot. Bonds6

About 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide

2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 4142263) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID4142263
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)o3)c3cc(C)ccc3n2)cc1
InChIInChI=1S/C25H23N3O3/c1-4-30-19-10-7-18(8-11-19)24-14-22(21-13-16(2)5-12-23(21)27-24)25(29)28-26-15-20-9-6-17(3)31-20/h5-15H,4H2,1-3H3,(H,28,29)
InChIKeyNFSBGVXGYOAUGB-UHFFFAOYSA-N
XLogP5.27
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.27
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

2-(3,4-dimethylphenyl)-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 1226428
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766
6-bromo-2-cyclopropyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 6303420
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide (CID 4142263) is 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)o3)c3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is NFSBGVXGYOAUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-4-30-19-10-7-18(8-11-19)24-14-22(21-13-16(2)5-12-23(21)27-24)25(29)28-26-15-20-9-6-17(3)31-20/h5-15H,4H2,1-3H3,(H,28,29).
What are the key properties of 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 4142263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).