2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid

C22H19N3O3 — CID 18962347

IUPAC2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid
SMILESO=C(O)CNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O3/c26-13-14-9-15(23-12-21(27)28)11-16(10-14)24-22-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)22/h1-11,23,26H,12-13H2,(H,24,25)(H,27,28)
InChIKeySUVVKILYUVCEKF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.12
Rot. Bonds6

About 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid

2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid (PubChem CID 18962347) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid
PubChem CID18962347
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid
SMILESO=C(O)CNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C22H19N3O3/c26-13-14-9-15(23-12-21(27)28)11-16(10-14)24-22-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)22/h1-11,23,26H,12-13H2,(H,24,25)(H,27,28)
InChIKeySUVVKILYUVCEKF-UHFFFAOYSA-N
XLogP4.12
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic 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

[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
[2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-2-oxoethyl]carbamic acid
CID 22994845
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]propanoic acid
CID 18962341
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-aminopropanamide
CID 11315175
1-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-3-(3-fluorophenyl)urea
CID 87605863
N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2-ethyl-4-oxopentanamide
CID 18962402
(2S)-N-[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]-2,6-diaminohexanamide
CID 21359233
2-[3-(acridin-9-ylamino)-5-(2-carboxyethoxymethyl)anilino]propanoic acid
CID 57083632
4-[3-(acridin-9-ylamino)-5-(3-carboxypropanoyloxymethyl)anilino]-4-oxobutanoic acid
CID 10414142
N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
CID 18962360
[3-[(3-methoxyacridin-9-yl)amino]phenyl]methanol
CID 19749444
[3-(acridin-9-ylamino)-5-aminophenyl]methyl N-methylcarbamate
CID 10248698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid?
The IUPAC name of 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid (CID 18962347) is 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid.
What is the SMILES notation for 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid?
The canonical SMILES for 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid is O=C(O)CNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid?
The InChIKey is SUVVKILYUVCEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-13-14-9-15(23-12-21(27)28)11-16(10-14)24-22-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)22/h1-11,23,26H,12-13H2,(H,24,25)(H,27,28).
What are the key properties of 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid?
2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetic acid is sourced from PubChem (CID 18962347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).