N-[6-(propanoylamino)acridin-3-yl]propanamide

C19H19N3O2 — CID 23658665

IUPACN-[6-(propanoylamino)acridin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc2cc3ccc(NC(=O)CC)cc3nc2c1
InChIInChI=1S/C19H19N3O2/c1-3-18(23)20-14-7-5-12-9-13-6-8-15(21-19(24)4-2)11-17(13)22-16(12)10-14/h5-11H,3-4H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQCOWANICYFQTSJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.09
Rot. Bonds4

About N-[6-(propanoylamino)acridin-3-yl]propanamide

N-[6-(propanoylamino)acridin-3-yl]propanamide (PubChem CID 23658665) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[6-(propanoylamino)acridin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(propanoylamino)acridin-3-yl]propanamide
PubChem CID23658665
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[6-(propanoylamino)acridin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc2cc3ccc(NC(=O)CC)cc3nc2c1
InChIInChI=1S/C19H19N3O2/c1-3-18(23)20-14-7-5-12-9-13-6-8-15(21-19(24)4-2)11-17(13)22-16(12)10-14/h5-11H,3-4H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQCOWANICYFQTSJ-UHFFFAOYSA-N
XLogP4.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(propanoylamino)acridin-3-yl]propanamide?
The IUPAC name of N-[6-(propanoylamino)acridin-3-yl]propanamide (CID 23658665) is N-[6-(propanoylamino)acridin-3-yl]propanamide.
What is the SMILES notation for N-[6-(propanoylamino)acridin-3-yl]propanamide?
The canonical SMILES for N-[6-(propanoylamino)acridin-3-yl]propanamide is CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC)cc3nc2c1.
What is the InChIKey of N-[6-(propanoylamino)acridin-3-yl]propanamide?
The InChIKey is QCOWANICYFQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-18(23)20-14-7-5-12-9-13-6-8-15(21-19(24)4-2)11-17(13)22-16(12)10-14/h5-11H,3-4H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[6-(propanoylamino)acridin-3-yl]propanamide?
N-[6-(propanoylamino)acridin-3-yl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(propanoylamino)acridin-3-yl]propanamide is sourced from PubChem (CID 23658665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).