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

C22H26N4O4 — CID 43865048

IUPAC8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESO=c1c2cc3c(=O)n(CC4CCCO4)ccc3nc2ccn1CCN1CCOCC1
InChIInChI=1S/C22H26N4O4/c27-21-17-14-18-20(4-6-26(22(18)28)15-16-2-1-11-30-16)23-19(17)3-5-25(21)8-7-24-9-12-29-13-10-24/h3-6,14,16H,1-2,7-13,15H2
InChIKeyLLMAAFQWHITZHU-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.22
Rot. Bonds5

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

8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865048) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865048
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESO=c1c2cc3c(=O)n(CC4CCCO4)ccc3nc2ccn1CCN1CCOCC1
InChIInChI=1S/C22H26N4O4/c27-21-17-14-18-20(4-6-26(22(18)28)15-16-2-1-11-30-16)23-19(17)3-5-25(21)8-7-24-9-12-29-13-10-24/h3-6,14,16H,1-2,7-13,15H2
InChIKeyLLMAAFQWHITZHU-UHFFFAOYSA-N
XLogP1.22
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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
2-(morpholin-4-ylmethyl)-3-[[(2S)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178972
2-(morpholin-4-ylmethyl)-3-[[(2R)-oxan-2-yl]methyl]quinazolin-4-one
CID 94178973
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865095
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
2-[2-[1-[(Z)-2-aminoethenyl]sulfanylethenylamino]-2-oxoethyl]sulfanyl-N-(3-morpholin-4-ylpropyl)-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 89338472
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
6-amino-2-methyl-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 92565209
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione
CID 66499564

Frequently Asked Questions

What is the IUPAC name of 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865048) is 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is O=c1c2cc3c(=O)n(CC4CCCO4)ccc3nc2ccn1CCN1CCOCC1.
What is the InChIKey of 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is LLMAAFQWHITZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-21-17-14-18-20(4-6-26(22(18)28)15-16-2-1-11-30-16)23-19(17)3-5-25(21)8-7-24-9-12-29-13-10-24/h3-6,14,16H,1-2,7-13,15H2.
What are the key properties of 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 410.47 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).