2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid

C16H12ClNO3 — CID 138657966

IUPAC2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1cc(Cl)c2c(c1)c(=O)c1ccccc1n2CC(=O)O
InChIInChI=1S/C16H12ClNO3/c1-9-6-11-15(12(17)7-9)18(8-14(19)20)13-5-3-2-4-10(13)16(11)21/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZMLJKINHIPHLEW-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.20
Rot. Bonds2

About 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid

2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid (PubChem CID 138657966) has the molecular formula C16H12ClNO3 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
PubChem CID138657966
Molecular FormulaC16H12ClNO3
Molecular Weight301.73 g/mol
Exact Mass301.05
IUPAC Name2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1cc(Cl)c2c(c1)c(=O)c1ccccc1n2CC(=O)O
InChIInChI=1S/C16H12ClNO3/c1-9-6-11-15(12(17)7-9)18(8-14(19)20)13-5-3-2-4-10(13)16(11)21/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZMLJKINHIPHLEW-UHFFFAOYSA-N
XLogP3.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.20
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-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-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
CID 138658257
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409
15,25-dimethyl-1,5-diazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-12,18,22,28-tetrone
CID 163521900
1,2,4-trichloro-5,12-diethylquinolino[2,3-b]acridine-7,14-dione
CID 139791344
2-(2-bromo-5,6-dichloro-9-oxoacridin-10-yl)acetic acid
CID 138658101
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658249
2-[3-(3,4-dichlorophenyl)-2,4-dioxoquinazolin-1-yl]acetic acid
CID 14458947
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 22330285

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid (CID 138657966) is 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid is Cc1cc(Cl)c2c(c1)c(=O)c1ccccc1n2CC(=O)O.
What is the InChIKey of 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid?
The InChIKey is ZMLJKINHIPHLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3/c1-9-6-11-15(12(17)7-9)18(8-14(19)20)13-5-3-2-4-10(13)16(11)21/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid?
2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid has a molecular weight of 301.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138657966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).