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

C20H16N2O2 — CID 51109672

IUPAC(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccnc1)CCC2
InChIInChI=1S/C20H16N2O2/c23-20(24)18-15-7-1-2-9-17(15)22-19-14(6-3-8-16(18)19)11-13-5-4-10-21-12-13/h1-2,4-5,7,9-12H,3,6,8H2,(H,23,24)/b14-11-
InChIKeyDLNJXWGINCOZGW-KAMYIIQDSA-N
MW316.36 g/mol
LogP4.20
Rot. Bonds2

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

(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 51109672) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID51109672
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccnc1)CCC2
InChIInChI=1S/C20H16N2O2/c23-20(24)18-15-7-1-2-9-17(15)22-19-14(6-3-8-16(18)19)11-13-5-4-10-21-12-13/h1-2,4-5,7,9-12H,3,6,8H2,(H,23,24)/b14-11-
InChIKeyDLNJXWGINCOZGW-KAMYIIQDSA-N
XLogP4.20
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946308
(4E)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6524431
(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 8863644
3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 75409701
(4E)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946361

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 51109672) is (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccnc1)CCC2.
What is the InChIKey of (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is DLNJXWGINCOZGW-KAMYIIQDSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20(24)18-15-7-1-2-9-17(15)22-19-14(6-3-8-16(18)19)11-13-5-4-10-21-12-13/h1-2,4-5,7,9-12H,3,6,8H2,(H,23,24)/b14-11-.
What are the key properties of (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid?
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 51109672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).