2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid

C24H27NO3 — CID 138658095

IUPAC2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
SMILESCc1ccc2c(=O)c3cc(CCC4CCCCC4)ccc3n(CC(=O)O)c2c1
InChIInChI=1S/C24H27NO3/c1-16-7-11-19-22(13-16)25(15-23(26)27)21-12-10-18(14-20(21)24(19)28)9-8-17-5-3-2-4-6-17/h7,10-14,17H,2-6,8-9,15H2,1H3,(H,26,27)
InChIKeyFUHQVTUHDZAPEM-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.06
Rot. Bonds5

About 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid

2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid (PubChem CID 138658095) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
PubChem CID138658095
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
SMILESCc1ccc2c(=O)c3cc(CCC4CCCCC4)ccc3n(CC(=O)O)c2c1
InChIInChI=1S/C24H27NO3/c1-16-7-11-19-22(13-16)25(15-23(26)27)21-12-10-18(14-20(21)24(19)28)9-8-17-5-3-2-4-6-17/h7,10-14,17H,2-6,8-9,15H2,1H3,(H,26,27)
InChIKeyFUHQVTUHDZAPEM-UHFFFAOYSA-N
XLogP5.06
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.06
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-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658249
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311889
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
2-(3-cyclohexyl-6-isocyano-2-methylindol-1-yl)acetic acid
CID 58923421
6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one
CID 121258325
2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid
CID 146570919
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499867
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-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-3,5-dimethylindol-1-yl]acetic acid
CID 86594539
2-(2-cyclohexylethyl)-1,4-dimethylbenzene
CID 59184196
2-amino-8-(2-cyclopentylethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 130275440
(1R,12S)-5-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
CID 67544775

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid?
The IUPAC name of 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid (CID 138658095) is 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid?
The canonical SMILES for 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid is Cc1ccc2c(=O)c3cc(CCC4CCCCC4)ccc3n(CC(=O)O)c2c1.
What is the InChIKey of 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid?
The InChIKey is FUHQVTUHDZAPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16-7-11-19-22(13-16)25(15-23(26)27)21-12-10-18(14-20(21)24(19)28)9-8-17-5-3-2-4-6-17/h7,10-14,17H,2-6,8-9,15H2,1H3,(H,26,27).
What are the key properties of 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid?
2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid has a molecular weight of 377.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid is sourced from PubChem (CID 138658095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).