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

C21H26N4O4 — CID 43864994

IUPAC2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOCCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O
InChIInChI=1S/C21H26N4O4/c1-28-12-2-5-24-6-3-18-16(20(24)26)15-17-19(22-18)4-7-25(21(17)27)9-8-23-10-13-29-14-11-23/h3-4,6-7,15H,2,5,8-14H2,1H3
InChIKeyNEQMEAPBWGEGAA-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.08
Rot. Bonds7

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

2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43864994) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43864994
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOCCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O
InChIInChI=1S/C21H26N4O4/c1-28-12-2-5-24-6-3-18-16(20(24)26)15-17-19(22-18)4-7-25(21(17)27)9-8-23-10-13-29-14-11-23/h3-4,6-7,15H,2,5,8-14H2,1H3
InChIKeyNEQMEAPBWGEGAA-UHFFFAOYSA-N
XLogP1.08
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865095
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865048
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
6-(2-methoxyethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-3-ium-5-one
CID 78578136
6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 44616049
N-[4-[8-(2-methoxyethyl)-1,9-dioxopyrido[4,3-b][1,6]naphthyridin-2-yl]phenyl]acetamide
CID 43865190
2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile
CID 56708651
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-8-pentylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 66507243
methyl 4-methyl-11-(3-morpholin-4-ylpropyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504553
5-methyl-11-(2-morpholin-4-ylethyl)-8-phenyl-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1,3,5,8,12-pentaen-10-one
CID 43864843

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43864994) is 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is COCCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O.
What is the InChIKey of 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is NEQMEAPBWGEGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-12-2-5-24-6-3-18-16(20(24)26)15-17-19(22-18)4-7-25(21(17)27)9-8-23-10-13-29-14-11-23/h3-4,6-7,15H,2,5,8-14H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 398.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43864994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).