2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione

C25H26N4O4 — CID 43865095

IUPAC2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOc1ccccc1-n1ccc2nc3ccn(CCCN4CCOCC4)c(=O)c3cc2c1=O
InChIInChI=1S/C25H26N4O4/c1-32-23-6-3-2-5-22(23)29-12-8-21-19(25(29)31)17-18-20(26-21)7-11-28(24(18)30)10-4-9-27-13-15-33-16-14-27/h2-3,5-8,11-12,17H,4,9-10,13-16H2,1H3
InChIKeyVAZADVYYOBXBML-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione

2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865095) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865095
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOc1ccccc1-n1ccc2nc3ccn(CCCN4CCOCC4)c(=O)c3cc2c1=O
InChIInChI=1S/C25H26N4O4/c1-32-23-6-3-2-5-22(23)29-12-8-21-19(25(29)31)17-18-20(26-21)7-11-28(24(18)30)10-4-9-27-13-15-33-16-14-27/h2-3,5-8,11-12,17H,4,9-10,13-16H2,1H3
InChIKeyVAZADVYYOBXBML-UHFFFAOYSA-N
XLogP2.43
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43864994
2-(5-methyl-1H-1,2,4-triazol-3-yl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865002
8-[3-(dimethylamino)propyl]-2-phenylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865004
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865048
2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile
CID 56708651
8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865091
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride
CID 67098449
2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 24618686
4-[3-(2,3,6,7-tetramethoxynaphthalen-1-yl)propyl]morpholine
CID 170870605
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 118724631

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865095) is 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is COc1ccccc1-n1ccc2nc3ccn(CCCN4CCOCC4)c(=O)c3cc2c1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is VAZADVYYOBXBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-23-6-3-2-5-22(23)29-12-8-21-19(25(29)31)17-18-20(26-21)7-11-28(24(18)30)10-4-9-27-13-15-33-16-14-27/h2-3,5-8,11-12,17H,4,9-10,13-16H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 446.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).