8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid

C21H27ClN2O2 — CID 122194892

IUPAC8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C21H27ClN2O2/c22-15-11-12-17-19(14-15)24-18-9-6-5-8-16(18)21(17)23-13-7-3-1-2-4-10-20(25)26/h11-12,14H,1-10,13H2,(H,23,24)(H,25,26)
InChIKeyPVNJKFVQNBUSDO-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.60
Rot. Bonds9

About 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid

8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid (PubChem CID 122194892) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid
PubChem CID122194892
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid
SMILESO=C(O)CCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C21H27ClN2O2/c22-15-11-12-17-19(14-15)24-18-9-6-5-8-16(18)21(17)23-13-7-3-1-2-4-10-20(25)26/h11-12,14H,1-10,13H2,(H,23,24)(H,25,26)
InChIKeyPVNJKFVQNBUSDO-UHFFFAOYSA-N
XLogP5.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Lipocrine
CID 11375002
6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10426799
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
CID 17989633
7-({1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-yl}amino)-1,1,1-trifluoroheptane-2,2-diol
CID 10950066
N-[(9-amino-6-chloro-1,2,3,4-tetrahydroacridin-3-yl)methyl]-5-(1,2-dithiolan-3-yl)pentanamide
CID 11190153
N-(3-aminopropyl)-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
CID 23645224
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
CID 67068835
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
CID 67068841
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 73348963
N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-[(3R)-dithiolan-3-yl]pentanamide
CID 11648619
N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-[(3S)-dithiolan-3-yl]pentanamide
CID 57396286
6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
CID 51040023

Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid?
The IUPAC name of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid (CID 122194892) is 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid.
What is the SMILES notation for 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid?
The canonical SMILES for 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid is O=C(O)CCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid?
The InChIKey is PVNJKFVQNBUSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-15-11-12-17-19(14-15)24-18-9-6-5-8-16(18)21(17)23-13-7-3-1-2-4-10-20(25)26/h11-12,14H,1-10,13H2,(H,23,24)(H,25,26).
What are the key properties of 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid?
8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid has a molecular weight of 374.91 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octanoic acid is sourced from PubChem (CID 122194892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).