3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid

C17H19NO3 — CID 82452010

IUPAC3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
SMILESCOc1ccc2nc3c(c(CCC(=O)O)c2c1)CCCC3
InChIInChI=1S/C17H19NO3/c1-21-11-6-8-16-14(10-11)12(7-9-17(19)20)13-4-2-3-5-15(13)18-16/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyQDGLXBBNZHTISD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.14
Rot. Bonds4

About 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid

3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid (PubChem CID 82452010) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
PubChem CID82452010
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
SMILESCOc1ccc2nc3c(c(CCC(=O)O)c2c1)CCCC3
InChIInChI=1S/C17H19NO3/c1-21-11-6-8-16-14(10-11)12(7-9-17(19)20)13-4-2-3-5-15(13)18-16/h6,8,10H,2-5,7,9H2,1H3,(H,19,20)
InChIKeyQDGLXBBNZHTISD-UHFFFAOYSA-N
XLogP3.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
CID 82452003
(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451972
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
methyl 3-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]propanoate
CID 119056769
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
CID 22367590
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82451226
6,9-dimethoxy-1,2,3,4-tetrahydroacridine
CID 71019681
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
The IUPAC name of 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid (CID 82452010) is 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid.
What is the SMILES notation for 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
The canonical SMILES for 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid is COc1ccc2nc3c(c(CCC(=O)O)c2c1)CCCC3.
What is the InChIKey of 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
The InChIKey is QDGLXBBNZHTISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-11-6-8-16-14(10-11)12(7-9-17(19)20)13-4-2-3-5-15(13)18-16/h6,8,10H,2-5,7,9H2,1H3,(H,19,20).
What are the key properties of 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid is sourced from PubChem (CID 82452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).