N-(4-hydroxybutyl)acridine-4-carboxamide

C18H18N2O2 — CID 11033729

IUPACN-(4-hydroxybutyl)acridine-4-carboxamide
SMILESO=C(NCCCCO)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C18H18N2O2/c21-11-4-3-10-19-18(22)15-8-5-7-14-12-13-6-1-2-9-16(13)20-17(14)15/h1-2,5-9,12,21H,3-4,10-11H2,(H,19,22)
InChIKeyXPUHXJZZJQYAQX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.89
Rot. Bonds5

About N-(4-hydroxybutyl)acridine-4-carboxamide

N-(4-hydroxybutyl)acridine-4-carboxamide (PubChem CID 11033729) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-hydroxybutyl)acridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)acridine-4-carboxamide
PubChem CID11033729
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(4-hydroxybutyl)acridine-4-carboxamide
SMILESO=C(NCCCCO)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C18H18N2O2/c21-11-4-3-10-19-18(22)15-8-5-7-14-12-13-6-1-2-9-16(13)20-17(14)15/h1-2,5-9,12,21H,3-4,10-11H2,(H,19,22)
InChIKeyXPUHXJZZJQYAQX-UHFFFAOYSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(4-hydroxybutyl)acridine-4-carboxamide 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

2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
CID 21143217
8-(chloromethyl)-N-[3-[3-[[8-(chloromethyl)acridine-4-carbonyl]amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 54093592
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489508
N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
CID 10603794
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
acridine-4-carboxamide
CID 3025721
3-(acridine-4-carbonylamino)propyl-(2-aminoethyl)azanide;cobalt(3+);bis((3-methyl-4-oxoniopent-3-en-2-ylidene)oxidanium)
CID 50912203
N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
CID 89338534
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-[1-(dimethylamino)ethyl]acridine-4-carboxamide
CID 18688656

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)acridine-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)acridine-4-carboxamide (CID 11033729) is N-(4-hydroxybutyl)acridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)acridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)acridine-4-carboxamide is O=C(NCCCCO)c1cccc2cc3ccccc3nc12.
What is the InChIKey of N-(4-hydroxybutyl)acridine-4-carboxamide?
The InChIKey is XPUHXJZZJQYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-11-4-3-10-19-18(22)15-8-5-7-14-12-13-6-1-2-9-16(13)20-17(14)15/h1-2,5-9,12,21H,3-4,10-11H2,(H,19,22).
What are the key properties of N-(4-hydroxybutyl)acridine-4-carboxamide?
N-(4-hydroxybutyl)acridine-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)acridine-4-carboxamide is sourced from PubChem (CID 11033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).