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

C16H17NO3 — CID 82452003

IUPAC2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
SMILESCOc1ccc2nc3c(c(CC(=O)O)c2c1)CCCC3
InChIInChI=1S/C16H17NO3/c1-20-10-6-7-15-13(8-10)12(9-16(18)19)11-4-2-3-5-14(11)17-15/h6-8H,2-5,9H2,1H3,(H,18,19)
InChIKeyAFMATZNXVZFLTR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds3

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

2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid (PubChem CID 82452003) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
PubChem CID82452003
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid
SMILESCOc1ccc2nc3c(c(CC(=O)O)c2c1)CCCC3
InChIInChI=1S/C16H17NO3/c1-20-10-6-7-15-13(8-10)12(9-16(18)19)11-4-2-3-5-14(11)17-15/h6-8H,2-5,9H2,1H3,(H,18,19)
InChIKeyAFMATZNXVZFLTR-UHFFFAOYSA-N
XLogP2.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82452010
(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
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
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
6,9-dimethoxy-1,2,3,4-tetrahydroacridine
CID 71019681
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
7-decyl-9-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridine
CID 22367590
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 167913440

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid (CID 82452003) is 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid is COc1ccc2nc3c(c(CC(=O)O)c2c1)CCCC3.
What is the InChIKey of 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid?
The InChIKey is AFMATZNXVZFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-10-6-7-15-13(8-10)12(9-16(18)19)11-4-2-3-5-14(11)17-15/h6-8H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid?
2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)acetic acid is sourced from PubChem (CID 82452003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).