6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid

C16H12ClNO3 — CID 10979548

IUPAC6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
SMILESCCn1c2ccc(C(=O)O)cc2c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C16H12ClNO3/c1-2-18-13-6-3-9(16(20)21)7-12(13)15(19)11-5-4-10(17)8-14(11)18/h3-8H,2H2,1H3,(H,20,21)
InChIKeyUTLHZAIUMPQCMK-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.53
Rot. Bonds2

About 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid

6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid (PubChem CID 10979548) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
PubChem CID10979548
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
SMILESCCn1c2ccc(C(=O)O)cc2c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C16H12ClNO3/c1-2-18-13-6-3-9(16(20)21)7-12(13)15(19)11-5-4-10(17)8-14(11)18/h3-8H,2H2,1H3,(H,20,21)
InChIKeyUTLHZAIUMPQCMK-UHFFFAOYSA-N
XLogP3.53
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 4912869
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CID 59331093
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CID 608826
4-chloro-1-ethyl-6-iodoquinolin-2-one;4-chloro-1-ethyl-2-oxoquinoline-6-carboxylic acid
CID 157061011
9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
CID 768661
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
1-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinoline-6-carboxylic acid
CID 126478672
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
1-(carboxymethyl)-3-(4-chlorophenyl)-2-methylindole-5-carboxylic acid
CID 174484175
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one
CID 24991794
1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
CID 22387822

Frequently Asked Questions

What is the IUPAC name of 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid?
The IUPAC name of 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid (CID 10979548) is 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid is CCn1c2ccc(C(=O)O)cc2c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid?
The InChIKey is UTLHZAIUMPQCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-2-18-13-6-3-9(16(20)21)7-12(13)15(19)11-5-4-10(17)8-14(11)18/h3-8H,2H2,1H3,(H,20,21).
What are the key properties of 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid?
6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid has a molecular weight of 301.73 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid is sourced from PubChem (CID 10979548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).