1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate

C14H15NO3 — CID 16667447

IUPAC1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
SMILESO.O=C(O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C14H13NO2.H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H,16,17);1H2
InChIKeyYCLZKCCMVGRLFT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds1

About 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate

1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate (PubChem CID 16667447) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate.

Molecular Properties

Compound Name1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
PubChem CID16667447
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
SMILESO.O=C(O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C14H13NO2.H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H,16,17);1H2
InChIKeyYCLZKCCMVGRLFT-UHFFFAOYSA-N
XLogP1.99
TPSA81.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 21239903
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239890

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate?
The IUPAC name of 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate (CID 16667447) is 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate.
What is the SMILES notation for 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate?
The canonical SMILES for 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate is O.O=C(O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate?
The InChIKey is YCLZKCCMVGRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H,16,17);1H2.
What are the key properties of 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate?
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate has a molecular weight of 245.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate is sourced from PubChem (CID 16667447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).