3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid

C16H16ClNO2 — CID 82451226

IUPAC3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
SMILESO=C(O)CCc1c2c(nc3c(Cl)cccc13)CCCC2
InChIInChI=1S/C16H16ClNO2/c17-13-6-3-5-12-10(8-9-15(19)20)11-4-1-2-7-14(11)18-16(12)13/h3,5-6H,1-2,4,7-9H2,(H,19,20)
InChIKeyDVASNVUXZNZRRF-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.78
Rot. Bonds3

About 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid

3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid (PubChem CID 82451226) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
PubChem CID82451226
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
SMILESO=C(O)CCc1c2c(nc3c(Cl)cccc13)CCCC2
InChIInChI=1S/C16H16ClNO2/c17-13-6-3-5-12-10(8-9-15(19)20)11-4-1-2-7-14(11)18-16(12)13/h3,5-6H,1-2,4,7-9H2,(H,19,20)
InChIKeyDVASNVUXZNZRRF-UHFFFAOYSA-N
XLogP3.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
CID 82451207
3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82451847
5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
CID 82451215
3-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82452010
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
(5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanamine
CID 82449993
(6-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82451718
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
(5-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methanamine
CID 82450260
3-(6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82450866
4-amino-4-(1,2,3,4-tetrahydroacridin-9-yl)butanoic acid
CID 155146633
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
The IUPAC name of 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid (CID 82451226) is 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
The canonical SMILES for 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid is O=C(O)CCc1c2c(nc3c(Cl)cccc13)CCCC2.
What is the InChIKey of 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
The InChIKey is DVASNVUXZNZRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-6-3-5-12-10(8-9-15(19)20)11-4-1-2-7-14(11)18-16(12)13/h3,5-6H,1-2,4,7-9H2,(H,19,20).
What are the key properties of 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid?
3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid has a molecular weight of 289.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid is sourced from PubChem (CID 82451226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).