9-aminoacridin-4-ol;(Z)-but-2-enedioic acid

C17H14N2O5 — CID 45105090

IUPAC9-aminoacridin-4-ol;(Z)-but-2-enedioic acid
SMILESNc1c2ccccc2nc2c(O)cccc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C13H10N2O.C4H4O4/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16;5-3(6)1-2-4(7)8/h1-7,16H,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyYYJSZOXETTWVOZ-BTJKTKAUSA-N
MW326.31 g/mol
LogP2.39
Rot. Bonds2

About 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid

9-aminoacridin-4-ol;(Z)-but-2-enedioic acid (PubChem CID 45105090) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid.

Molecular Properties

Compound Name9-aminoacridin-4-ol;(Z)-but-2-enedioic acid
PubChem CID45105090
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name9-aminoacridin-4-ol;(Z)-but-2-enedioic acid
SMILESNc1c2ccccc2nc2c(O)cccc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C13H10N2O.C4H4O4/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16;5-3(6)1-2-4(7)8/h1-7,16H,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyYYJSZOXETTWVOZ-BTJKTKAUSA-N
XLogP2.39
TPSA133.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid 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

acridin-9-amine;λ2-plumbane
CID 173496858
9-phenylacridin-4-ol
CID 59256664
3,4-dimethylacridin-9-amine
CID 141072687
aniline;but-2-enedioic acid
CID 160758978
N-(1-adamantyl)-9-aminoacridine-4-carboxamide
CID 10361870
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid
CID 175924334
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
2,4-dibromoquinazolin-8-ol
CID 175262476
3-amino-1H-indole-2-carboxylic acid;(Z)-but-2-enedioic acid
CID 69007562
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
CID 82263015

Frequently Asked Questions

What is the IUPAC name of 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid?
The IUPAC name of 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid (CID 45105090) is 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid.
What is the SMILES notation for 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid?
The canonical SMILES for 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid is Nc1c2ccccc2nc2c(O)cccc12.O=C(O)/C=C\C(=O)O.
What is the InChIKey of 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid?
The InChIKey is YYJSZOXETTWVOZ-BTJKTKAUSA-N. The full InChI is InChI=1S/C13H10N2O.C4H4O4/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16;5-3(6)1-2-4(7)8/h1-7,16H,(H2,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid?
9-aminoacridin-4-ol;(Z)-but-2-enedioic acid has a molecular weight of 326.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminoacridin-4-ol;(Z)-but-2-enedioic acid is sourced from PubChem (CID 45105090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).