10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid

C23H17NO3 — CID 154266016

IUPAC10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid
SMILESCN1c2ccccc2C(C(=O)O)=c2ccc(=CC=C3C=CC(=O)C=C3)cc21
InChIInChI=1S/C23H17NO3/c1-24-20-5-3-2-4-18(20)22(23(26)27)19-13-10-16(14-21(19)24)7-6-15-8-11-17(25)12-9-15/h2-14H,1H3,(H,26,27)
InChIKeyIPKSGLLBQRKNQN-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.45
Rot. Bonds2

About 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid

10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid (PubChem CID 154266016) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid.

Molecular Properties

Compound Name10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid
PubChem CID154266016
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid
SMILESCN1c2ccccc2C(C(=O)O)=c2ccc(=CC=C3C=CC(=O)C=C3)cc21
InChIInChI=1S/C23H17NO3/c1-24-20-5-3-2-4-18(20)22(23(26)27)19-13-10-16(14-21(19)24)7-6-15-8-11-17(25)12-9-15/h2-14H,1H3,(H,26,27)
InChIKeyIPKSGLLBQRKNQN-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid with MolForge

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Related Compounds

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4-[2-(1-octadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 100982111
4-[(2E)-2-(1-ethylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 58082024
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CID 3797236
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CID 101385219
6-(3-hydroxyprop-2-enylidene)-11-methylbenzo[b][1]benzazepin-5-one
CID 173468506
3-(2,2-dichloroacetyl)-1-methylquinoline-2,4-dione
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2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
CID 164576931
2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
CID 84724427
10-(trideuteriomethyl)-1H-acridine-9-carboxylic acid
CID 90690422
aminothiourea;1-methylindole-2,3-dione
CID 138706581

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid?
The IUPAC name of 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid (CID 154266016) is 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid.
What is the SMILES notation for 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid?
The canonical SMILES for 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid is CN1c2ccccc2C(C(=O)O)=c2ccc(=CC=C3C=CC(=O)C=C3)cc21.
What is the InChIKey of 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid?
The InChIKey is IPKSGLLBQRKNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-24-20-5-3-2-4-18(20)22(23(26)27)19-13-10-16(14-21(19)24)7-6-15-8-11-17(25)12-9-15/h2-14H,1H3,(H,26,27).
What are the key properties of 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid?
10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]acridine-9-carboxylic acid is sourced from PubChem (CID 154266016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).