8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

C22H22N4O2 — CID 43865004

IUPAC8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCN(C)CCCn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O
InChIInChI=1S/C22H22N4O2/c1-24(2)11-6-12-25-13-9-19-17(21(25)27)15-18-20(23-19)10-14-26(22(18)28)16-7-4-3-5-8-16/h3-5,7-10,13-15H,6,11-12H2,1-2H3
InChIKeyDWJBYMHPEHGDCW-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.65
Rot. Bonds5

About 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865004) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865004
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCN(C)CCCn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O
InChIInChI=1S/C22H22N4O2/c1-24(2)11-6-12-25-13-9-19-17(21(25)27)15-18-20(23-19)10-14-26(22(18)28)16-7-4-3-5-8-16/h3-5,7-10,13-15H,6,11-12H2,1-2H3
InChIKeyDWJBYMHPEHGDCW-UHFFFAOYSA-N
XLogP2.65
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865004) is 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is CN(C)CCCn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O.
What is the InChIKey of 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is DWJBYMHPEHGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-24(2)11-6-12-25-13-9-19-17(21(25)27)15-18-20(23-19)10-14-26(22(18)28)16-7-4-3-5-8-16/h3-5,7-10,13-15H,6,11-12H2,1-2H3.
What are the key properties of 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 374.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).