(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

C20H17NO3 — CID 7716509

IUPAC(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESC[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C20H17NO3/c1-12-9-13(11-14-5-4-8-24-14)19-16(10-12)18(20(22)23)15-6-2-3-7-17(15)21-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b13-11-/t12-/m1/s1
InChIKeyWDNKRKFOOOXQKH-NPRUJURCSA-N
MW319.36 g/mol
LogP4.65
Rot. Bonds2

About (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 7716509) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID7716509
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESC[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C20H17NO3/c1-12-9-13(11-14-5-4-8-24-14)19-16(10-12)18(20(22)23)15-6-2-3-7-17(15)21-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b13-11-/t12-/m1/s1
InChIKeyWDNKRKFOOOXQKH-NPRUJURCSA-N
XLogP4.65
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxopropyl (4E)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 42970190
[2-(methylamino)-2-oxoethyl] (2S)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7214952
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 4794754
(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7984804
4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4023473
(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480887
4-[[2-(difluoromethoxy)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3467329
(4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 45463969
(2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7062766
(3E)-3-(furan-2-ylmethylidene)-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 95568888
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3580671
(4E)-4-[[4-[2,6-dichloro-4-(trifluoromethyl)phenyl]phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480907

Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 7716509) is (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is WDNKRKFOOOXQKH-NPRUJURCSA-N. The full InChI is InChI=1S/C20H17NO3/c1-12-9-13(11-14-5-4-8-24-14)19-16(10-12)18(20(22)23)15-6-2-3-7-17(15)21-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b13-11-/t12-/m1/s1.
What are the key properties of (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 7716509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).