propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C18H21NO2 — CID 16600366

IUPACpropan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OC(C)C)c2c1)CCCC3
InChIInChI=1S/C18H21NO2/c1-11(2)21-18(20)17-13-6-4-5-7-15(13)19-16-9-8-12(3)10-14(16)17/h8-11H,4-7H2,1-3H3
InChIKeyACPGADVRIZUZQP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.99
Rot. Bonds2

About propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 16600366) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID16600366
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namepropan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCc1ccc2nc3c(c(C(=O)OC(C)C)c2c1)CCCC3
InChIInChI=1S/C18H21NO2/c1-11(2)21-18(20)17-13-6-4-5-7-15(13)19-16-9-8-12(3)10-14(16)17/h8-11H,4-7H2,1-3H3
InChIKeyACPGADVRIZUZQP-UHFFFAOYSA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46645110
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46528767
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 43015024
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18138403
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 46795426
(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 134025112
7-methyl-N-[2-(2-oxopiperidin-1-yl)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 166221804
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
2-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)propan-2-ol
CID 82450358
(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239890

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 16600366) is propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is Cc1ccc2nc3c(c(C(=O)OC(C)C)c2c1)CCCC3.
What is the InChIKey of propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is ACPGADVRIZUZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)21-18(20)17-13-6-4-5-7-15(13)19-16-9-8-12(3)10-14(16)17/h8-11H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 16600366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).