2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid

C20H18ClNO4 — CID 138658249

IUPAC2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
SMILESCc1ccc2c(=O)c3ccc(Cl)c(OCC4CC4)c3n(CC(=O)O)c2c1
InChIInChI=1S/C20H18ClNO4/c1-11-2-5-13-16(8-11)22(9-17(23)24)18-14(19(13)25)6-7-15(21)20(18)26-10-12-3-4-12/h2,5-8,12H,3-4,9-10H2,1H3,(H,23,24)
InChIKeyPIVMBRUOUJSTRJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.99
Rot. Bonds5

About 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid

2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid (PubChem CID 138658249) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
PubChem CID138658249
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
SMILESCc1ccc2c(=O)c3ccc(Cl)c(OCC4CC4)c3n(CC(=O)O)c2c1
InChIInChI=1S/C20H18ClNO4/c1-11-2-5-13-16(8-11)22(9-17(23)24)18-14(19(13)25)6-7-15(21)20(18)26-10-12-3-4-12/h2,5-8,12H,3-4,9-10H2,1H3,(H,23,24)
InChIKeyPIVMBRUOUJSTRJ-UHFFFAOYSA-N
XLogP3.99
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.99
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-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-ethyl-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(5-ethyl-3-methyl-9-oxoacridin-10-yl)acetic acid
CID 164986153
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409
2-[4-(dimethylamino)-3,6-dimethyl-9-oxoacridin-10-yl]acetic acid
CID 138657985
2-[3,4-dichloro-6-(4,4-dimethylcyclohexyl)-9-oxoacridin-10-yl]acetic acid
CID 138658416
2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658095
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
CID 138657966
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423
2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid
CID 155297661
2-(6-tert-butyl-3-chloro-9-oxo-4-propan-2-ylsulfanylacridin-10-yl)acetic acid
CID 138657930
ethyl 2-[6-chloro-5-(dimethylamino)-2-methyl-9-oxoacridin-10-yl]acetate
CID 155297681
2-[3-chloro-4-(dimethylamino)-9-oxo-6-pyrazin-2-ylacridin-10-yl]acetic acid
CID 155297629

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid?
The IUPAC name of 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid (CID 138658249) is 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid is Cc1ccc2c(=O)c3ccc(Cl)c(OCC4CC4)c3n(CC(=O)O)c2c1.
What is the InChIKey of 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid?
The InChIKey is PIVMBRUOUJSTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-11-2-5-13-16(8-11)22(9-17(23)24)18-14(19(13)25)6-7-15(21)20(18)26-10-12-3-4-12/h2,5-8,12H,3-4,9-10H2,1H3,(H,23,24).
What are the key properties of 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid?
2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid has a molecular weight of 371.82 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid is sourced from PubChem (CID 138658249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).