8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione

C24H17ClN4O2 — CID 66499478

IUPAC8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione
SMILESCC(c1ccc(Cl)cc1)n1ccc2c(cnc3ccn(-c4ccccn4)c(=O)c32)c1=O
InChIInChI=1S/C24H17ClN4O2/c1-15(16-5-7-17(25)8-6-16)28-12-9-18-19(23(28)30)14-27-20-10-13-29(24(31)22(18)20)21-4-2-3-11-26-21/h2-15H,1H3
InChIKeyRDMYWVGISIMMPY-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.36
Rot. Bonds3

About 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione

8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione (PubChem CID 66499478) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione.

Molecular Properties

Compound Name8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione
PubChem CID66499478
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC Name8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione
SMILESCC(c1ccc(Cl)cc1)n1ccc2c(cnc3ccn(-c4ccccn4)c(=O)c32)c1=O
InChIInChI=1S/C24H17ClN4O2/c1-15(16-5-7-17(25)8-6-16)28-12-9-18-19(23(28)30)14-27-20-10-13-29(24(31)22(18)20)21-4-2-3-11-26-21/h2-15H,1H3
InChIKeyRDMYWVGISIMMPY-UHFFFAOYSA-N
XLogP4.36
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione?
The IUPAC name of 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione (CID 66499478) is 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione.
What is the SMILES notation for 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione?
The canonical SMILES for 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione is CC(c1ccc(Cl)cc1)n1ccc2c(cnc3ccn(-c4ccccn4)c(=O)c32)c1=O.
What is the InChIKey of 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione?
The InChIKey is RDMYWVGISIMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c1-15(16-5-7-17(25)8-6-16)28-12-9-18-19(23(28)30)14-27-20-10-13-29(24(31)22(18)20)21-4-2-3-11-26-21/h2-15H,1H3.
What are the key properties of 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione?
8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione has a molecular weight of 428.88 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-chlorophenyl)ethyl]-2-pyridin-2-ylpyrido[3,4-c][1,6]naphthyridine-1,7-dione is sourced from PubChem (CID 66499478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).