9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide

C19H20ClN3O — CID 10593362

IUPAC9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
SMILESCc1cccc2c(Cl)c3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C19H20ClN3O/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2)3/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyUAHKUFNIIVPMQV-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.64
Rot. Bonds4

About 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide

9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide (PubChem CID 10593362) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide.

Molecular Properties

Compound Name9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
PubChem CID10593362
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
SMILESCc1cccc2c(Cl)c3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C19H20ClN3O/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2)3/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyUAHKUFNIIVPMQV-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
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 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide?
The IUPAC name of 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide (CID 10593362) is 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide.
What is the SMILES notation for 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide?
The canonical SMILES for 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide is Cc1cccc2c(Cl)c3cccc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide?
The InChIKey is UAHKUFNIIVPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12-6-4-7-13-16(20)14-8-5-9-15(18(14)22-17(12)13)19(24)21-10-11-23(2)3/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide?
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide is sourced from PubChem (CID 10593362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).