6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride

C17H16ClIN2O2 — CID 158037327

IUPAC6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc2c(=O)c3ccc(I)cc3[nH]c12.Cl
InChIInChI=1S/C17H15IN2O2.ClH/c1-2-8-19-17(22)13-5-3-4-12-15(13)20-14-9-10(18)6-7-11(14)16(12)21;/h3-7,9H,2,8H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyMNVMYUGNHRIXGN-UHFFFAOYSA-N
MW442.68 g/mol
LogP3.85
Rot. Bonds3

About 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride

6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride (PubChem CID 158037327) has the molecular formula C17H16ClIN2O2 and a molecular weight of 442.68 g/mol. Its IUPAC name is 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
PubChem CID158037327
Molecular FormulaC17H16ClIN2O2
Molecular Weight442.68 g/mol
Exact Mass441.99
IUPAC Name6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc2c(=O)c3ccc(I)cc3[nH]c12.Cl
InChIInChI=1S/C17H15IN2O2.ClH/c1-2-8-19-17(22)13-5-3-4-12-15(13)20-14-9-10(18)6-7-11(14)16(12)21;/h3-7,9H,2,8H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyMNVMYUGNHRIXGN-UHFFFAOYSA-N
XLogP3.85
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.68
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride?
The IUPAC name of 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride (CID 158037327) is 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride?
The canonical SMILES for 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride is CCCNC(=O)c1cccc2c(=O)c3ccc(I)cc3[nH]c12.Cl.
What is the InChIKey of 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride?
The InChIKey is MNVMYUGNHRIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2.ClH/c1-2-8-19-17(22)13-5-3-4-12-15(13)20-14-9-10(18)6-7-11(14)16(12)21;/h3-7,9H,2,8H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride?
6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride has a molecular weight of 442.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 158037327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).