2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid

C17H13Cl2NO3 — CID 138658409

IUPAC2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1C
InChIInChI=1S/C17H13Cl2NO3/c1-8-5-11-13(6-9(8)2)20(7-14(21)22)16-10(17(11)23)3-4-12(18)15(16)19/h3-6H,7H2,1-2H3,(H,21,22)
InChIKeyCFGBYVAADZWJSP-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.16
Rot. Bonds2

About 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid

2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid (PubChem CID 138658409) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
PubChem CID138658409
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1C
InChIInChI=1S/C17H13Cl2NO3/c1-8-5-11-13(6-9(8)2)20(7-14(21)22)16-10(17(11)23)3-4-12(18)15(16)19/h3-6H,7H2,1-2H3,(H,21,22)
InChIKeyCFGBYVAADZWJSP-UHFFFAOYSA-N
XLogP4.16
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.16
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

2-(2-bromo-5,6-dichloro-9-oxoacridin-10-yl)acetic acid
CID 138658101
2-[3,4-dichloro-6-(4,4-dimethylcyclohexyl)-9-oxoacridin-10-yl]acetic acid
CID 138658416
2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid
CID 138658347
2-[5,6-dichloro-2-(5,5-dimethylcyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid
CID 138657877
2-(3-chloro-4-ethyl-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(5-ethyl-3-methyl-9-oxoacridin-10-yl)acetic acid
CID 164986153
2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658249
2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride
CID 159639466
2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid
CID 155297661
2-[3-chloro-6-(4-hydroxyphenyl)-4-methylsulfanyl-9-oxoacridin-10-yl]acetic acid
CID 138658157
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423
2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid
CID 138657985
2-(6-tert-butyl-3-chloro-9-oxo-4-propan-2-ylsulfanylacridin-10-yl)acetic acid
CID 138657930

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid (CID 138658409) is 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid is Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid?
The InChIKey is CFGBYVAADZWJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-8-5-11-13(6-9(8)2)20(7-14(21)22)16-10(17(11)23)3-4-12(18)15(16)19/h3-6H,7H2,1-2H3,(H,21,22).
What are the key properties of 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid?
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid has a molecular weight of 350.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138658409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).