2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid

C19H20N2O3 — CID 138657985

IUPAC2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid
SMILESCc1ccc2c(=O)c3ccc(C)c(N(C)C)c3n(CC(=O)O)c2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-7-13-15(9-11)21(10-16(22)23)18-14(19(13)24)8-6-12(2)17(18)20(3)4/h5-9H,10H2,1-4H3,(H,22,23)
InChIKeyKKTNTESLELUCCQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds3

About 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid

2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid (PubChem CID 138657985) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid
PubChem CID138657985
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid
SMILESCc1ccc2c(=O)c3ccc(C)c(N(C)C)c3n(CC(=O)O)c2c1
InChIInChI=1S/C19H20N2O3/c1-11-5-7-13-15(9-11)21(10-16(22)23)18-14(19(13)24)8-6-12(2)17(18)20(3)4/h5-9H,10H2,1-4H3,(H,22,23)
InChIKeyKKTNTESLELUCCQ-UHFFFAOYSA-N
XLogP2.92
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid
CID 155297661
2-[3-chloro-4-(dimethylamino)-6-methyl-9-oxoacridin-10-yl]-N-isocyanoacetamide
CID 164822564
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
ethyl 2-[6-chloro-5-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetate
CID 155297681
2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658249
2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyrazin-2-ylacridin-10-yl]acetic acid
CID 155297629
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409
ethyl 2-[6-(2,6-difluoroanilino)-4-(dimethylamino)-3-methyl-9-oxoacridin-10-yl]acetate
CID 155723739
ethyl 2-[6-(2,6-difluoroanilino)-4-(dimethylamino)-3-methyl-9-oxoacridin-10-yl]acetate;molecular hydrogen
CID 155723738
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
cesium;carbanide;2-[9-(dimethylamino)-2-[(3-methoxycyclobutyl)-methylamino]-8-methyl-5-oxobenzo[b][1,8]naphthyridin-10-yl]acetic acid;methylsulfanylmethane
CID 155723921
2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658095

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid (CID 138657985) is 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid is Cc1ccc2c(=O)c3ccc(C)c(N(C)C)c3n(CC(=O)O)c2c1.
What is the InChIKey of 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid?
The InChIKey is KKTNTESLELUCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-5-7-13-15(9-11)21(10-16(22)23)18-14(19(13)24)8-6-12(2)17(18)20(3)4/h5-9H,10H2,1-4H3,(H,22,23).
What are the key properties of 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid?
2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid is sourced from PubChem (CID 138657985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).