2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid

C20H15Cl2NO3 — CID 138658347

IUPAC2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid
SMILESO=C(O)Cn1c2cc(C3=CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C20H15Cl2NO3/c21-15-8-7-14-19(18(15)22)23(10-17(24)25)16-9-12(11-3-1-2-4-11)5-6-13(16)20(14)26/h3,5-9H,1-2,4,10H2,(H,24,25)
InChIKeyYMABGWHZUJHJSC-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.11
Rot. Bonds3

About 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid

2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid (PubChem CID 138658347) has the molecular formula C20H15Cl2NO3 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid
PubChem CID138658347
Molecular FormulaC20H15Cl2NO3
Molecular Weight388.25 g/mol
Exact Mass387.04
IUPAC Name2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid
SMILESO=C(O)Cn1c2cc(C3=CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C20H15Cl2NO3/c21-15-8-7-14-19(18(15)22)23(10-17(24)25)16-9-12(11-3-1-2-4-11)5-6-13(16)20(14)26/h3,5-9H,1-2,4,10H2,(H,24,25)
InChIKeyYMABGWHZUJHJSC-UHFFFAOYSA-N
XLogP5.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.11
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-[3,4-dichloro-6-(cyclobutylamino)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclohexyl-9-oxoacridin-10-yl)acetic acid;2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid;2-[3,4-dichloro-6-(cyclopentylamino)-9-oxoacridin-10-yl]acetic acid;2-(3,4-dichloro-6-cyclopentyl-9-oxoacridin-10-yl)acetic acid
CID 167585440
2-[5,6-dichloro-2-(5,5-dimethylcyclohexen-1-yl)-9-oxoacridin-10-yl]acetic acid
CID 138657877
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409
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-chloro-6-(4-hydroxyphenyl)-4-methylsulfanyl-9-oxoacridin-10-yl]acetic acid
CID 138658157
2-[3-chloro-4-methoxy-6-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-9-oxoacridin-10-yl]acetic acid;2-[3-chloro-4-methoxy-6-[4-(4-methylpiperazin-1-yl)cyclohexyl]-9-oxoacridin-10-yl]acetic acid;methane
CID 165038042
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-(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-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

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid?
The IUPAC name of 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid (CID 138658347) is 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid.
What is the SMILES notation for 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid?
The canonical SMILES for 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid is O=C(O)Cn1c2cc(C3=CCCC3)ccc2c(=O)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid?
The InChIKey is YMABGWHZUJHJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3/c21-15-8-7-14-19(18(15)22)23(10-17(24)25)16-9-12(11-3-1-2-4-11)5-6-13(16)20(14)26/h3,5-9H,1-2,4,10H2,(H,24,25).
What are the key properties of 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid?
2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid has a molecular weight of 388.25 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dichloro-6-(cyclopenten-1-yl)-9-oxoacridin-10-yl]acetic acid is sourced from PubChem (CID 138658347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).