(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride

C22H25Cl2N3O2 — CID 119405323

IUPAC(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
InChIInChI=1S/C22H23N3O2.2ClH/c23-11-5-12-24-22(26)20-17-8-1-2-10-19(17)25-21-15(6-3-9-18(20)21)14-16-7-4-13-27-16;;/h1-2,4,7-8,10,13-14H,3,5-6,9,11-12,23H2,(H,24,26);2*1H/b15-14-;;
InChIKeyXDNWDNZTTMEKHF-GEKVWEGFSA-N
MW434.37 g/mol
LogP4.63
Rot. Bonds5

About (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride

(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride (PubChem CID 119405323) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride
PubChem CID119405323
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2
InChIInChI=1S/C22H23N3O2.2ClH/c23-11-5-12-24-22(26)20-17-8-1-2-10-19(17)25-21-15(6-3-9-18(20)21)14-16-7-4-13-27-16;;/h1-2,4,7-8,10,13-14H,3,5-6,9,11-12,23H2,(H,24,26);2*1H/b15-14-;;
InChIKeyXDNWDNZTTMEKHF-GEKVWEGFSA-N
XLogP4.63
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

(3E)-3-(furan-2-ylmethylidene)-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 95568888
[2-(methylamino)-2-oxoethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7959870
(2-chloro-6-fluorophenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3373287
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 5121421
(4Z)-4-(furan-2-ylmethylidene)-N-methoxy-N-methyl-2,3-dihydro-1H-acridine-9-carboxamide
CID 98597111
(3E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 97433279
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
(4-tert-butyl-2,6-dimethylphenyl)methyl 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 3326222
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 7240873
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4857742
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
CID 4216263

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride?
The IUPAC name of (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride (CID 119405323) is (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride.
What is the SMILES notation for (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride?
The canonical SMILES for (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride is Cl.Cl.NCCCNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2.
What is the InChIKey of (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride?
The InChIKey is XDNWDNZTTMEKHF-GEKVWEGFSA-N. The full InChI is InChI=1S/C22H23N3O2.2ClH/c23-11-5-12-24-22(26)20-17-8-1-2-10-19(17)25-21-15(6-3-9-18(20)21)14-16-7-4-13-27-16;;/h1-2,4,7-8,10,13-14H,3,5-6,9,11-12,23H2,(H,24,26);2*1H/b15-14-;;.
What are the key properties of (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride?
(4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(3-aminopropyl)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide;dihydrochloride is sourced from PubChem (CID 119405323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).