(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide

C21H20N2O3 — CID 98597111

IUPAC(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
SMILESCON(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
InChIInChI=1S/C21H20N2O3/c1-23(25-2)21(24)19-16-9-3-4-11-18(16)22-20-14(7-5-10-17(19)20)13-15-8-6-12-26-15/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3/b14-13-
InChIKeyCTQKBGAKJCUMLV-YPKPFQOOSA-N
MW348.40 g/mol
LogP4.34
Rot. Bonds3

About (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide

(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide (PubChem CID 98597111) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide.

Molecular Properties

Compound Name(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
PubChem CID98597111
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
SMILESCON(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
InChIInChI=1S/C21H20N2O3/c1-23(25-2)21(24)19-16-9-3-4-11-18(16)22-20-14(7-5-10-17(19)20)13-15-8-6-12-26-15/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3/b14-13-
InChIKeyCTQKBGAKJCUMLV-YPKPFQOOSA-N
XLogP4.34
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide with MolForge

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Related Compounds

[(1R)-1-cyanoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7240877
[2-(methylamino)-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7959870
1-cyanoethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4780233
2-phenoxyethyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 5010246
[2-(tert-butylamino)-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 6245326
1,4-diazepan-1-yl-[(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridin-9-yl]methanone
CID 119414671
(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride
CID 119405323
(4-tert-butyl-2,6-dimethylphenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3326222
(3E)-3-(furan-2-ylmethylidene)-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 95568888
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 5121421
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4602638
[2-(N-methylanilino)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3459109

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide?
The IUPAC name of (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide (CID 98597111) is (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide.
What is the SMILES notation for (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide?
The canonical SMILES for (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide is CON(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2.
What is the InChIKey of (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide?
The InChIKey is CTQKBGAKJCUMLV-YPKPFQOOSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-23(25-2)21(24)19-16-9-3-4-11-18(16)22-20-14(7-5-10-17(19)20)13-15-8-6-12-26-15/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3/b14-13-.
What are the key properties of (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide?
(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide is sourced from PubChem (CID 98597111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).