2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid

C17H14ClNO5 — CID 138658423

IUPAC2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
SMILESCOc1cccc2c(=O)c3ccc(Cl)c(OC)c3n(CC(=O)O)c12
InChIInChI=1S/C17H14ClNO5/c1-23-12-5-3-4-9-14(12)19(8-13(20)21)15-10(16(9)22)6-7-11(18)17(15)24-2/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyXADJALWJPFHROM-UHFFFAOYSA-N
MW347.75 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid

2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid (PubChem CID 138658423) has the molecular formula C17H14ClNO5 and a molecular weight of 347.75 g/mol. Its IUPAC name is 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
PubChem CID138658423
Molecular FormulaC17H14ClNO5
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
SMILESCOc1cccc2c(=O)c3ccc(Cl)c(OC)c3n(CC(=O)O)c12
InChIInChI=1S/C17H14ClNO5/c1-23-12-5-3-4-9-14(12)19(8-13(20)21)15-10(16(9)22)6-7-11(18)17(15)24-2/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyXADJALWJPFHROM-UHFFFAOYSA-N
XLogP2.91
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
CID 67539220
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409
2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
CID 84800608
2-(4-amino-8-methoxypyrimido[4,5-b]indol-9-yl)acetic acid
CID 156877028
3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
CID 82498482
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-(2-bromo-5,6-dichloro-9-oxoacridin-10-yl)acetic acid
CID 138658101
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
(E)-3-[2-chloro-7-methoxy-1-(2-methylpropyl)indol-3-yl]prop-2-enoic acid
CID 82269408
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
CID 138657966

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid (CID 138658423) is 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid is COc1cccc2c(=O)c3ccc(Cl)c(OC)c3n(CC(=O)O)c12.
What is the InChIKey of 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid?
The InChIKey is XADJALWJPFHROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5/c1-23-12-5-3-4-9-14(12)19(8-13(20)21)15-10(16(9)22)6-7-11(18)17(15)24-2/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid?
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid has a molecular weight of 347.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138658423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).