2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid

C18H20N2O2 — CID 155723778

IUPAC2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid
SMILESCc1ccc2c(c1N(C)C)N(CC(=O)O)c1ccccc1C2
InChIInChI=1S/C18H20N2O2/c1-12-8-9-14-10-13-6-4-5-7-15(13)20(11-16(21)22)18(14)17(12)19(2)3/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyKYSIPLOBGPWYGO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.19
Rot. Bonds3

About 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid

2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid (PubChem CID 155723778) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid
PubChem CID155723778
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid
SMILESCc1ccc2c(c1N(C)C)N(CC(=O)O)c1ccccc1C2
InChIInChI=1S/C18H20N2O2/c1-12-8-9-14-10-13-6-4-5-7-15(13)20(11-16(21)22)18(14)17(12)19(2)3/h4-9H,10-11H2,1-3H3,(H,21,22)
InChIKeyKYSIPLOBGPWYGO-UHFFFAOYSA-N
XLogP3.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-9H-acridin-10-yl)acetaldehyde
CID 165040020
6-(9H-acridin-10-yl)hexanoic acid
CID 66643396
9H-acridin-10-ylmethanol
CID 23521289
methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
10-propyl-9H-acridine
CID 71122947
10-(2-nitrosoethyl)-9H-acridine
CID 167169061
4,10-dimethyl-9H-acridine
CID 159483382
2-[4-(2,3-dimethylphenyl)-2,6-dioxopiperazin-1-yl]acetic acid
CID 82346513
2-(2-hydroxy-2,3-dihydroindol-1-yl)acetic acid
CID 133188486
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
CID 68898482

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid (CID 155723778) is 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid is Cc1ccc2c(c1N(C)C)N(CC(=O)O)c1ccccc1C2.
What is the InChIKey of 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid?
The InChIKey is KYSIPLOBGPWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-8-9-14-10-13-6-4-5-7-15(13)20(11-16(21)22)18(14)17(12)19(2)3/h4-9H,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid?
2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-3-methyl-9H-acridin-10-yl]acetic acid is sourced from PubChem (CID 155723778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).