8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione

C22H20N4O3 — CID 66499564

IUPAC8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione
SMILESO=c1c2cnc3ccn(Cc4cccnc4)c(=O)c3c2ccn1CC1CCCO1
InChIInChI=1S/C22H20N4O3/c27-21-18-12-24-19-6-9-25(13-15-3-1-7-23-11-15)22(28)20(19)17(18)5-8-26(21)14-16-4-2-10-29-16/h1,3,5-9,11-12,16H,2,4,10,13-14H2
InChIKeyQATIRGGUGCBFLM-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.33
Rot. Bonds4

About 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione

8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione (PubChem CID 66499564) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione.

Molecular Properties

Compound Name8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione
PubChem CID66499564
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione
SMILESO=c1c2cnc3ccn(Cc4cccnc4)c(=O)c3c2ccn1CC1CCCO1
InChIInChI=1S/C22H20N4O3/c27-21-18-12-24-19-6-9-25(13-15-3-1-7-23-11-15)22(28)20(19)17(18)5-8-26(21)14-16-4-2-10-29-16/h1,3,5-9,11-12,16H,2,4,10,13-14H2
InChIKeyQATIRGGUGCBFLM-UHFFFAOYSA-N
XLogP2.33
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione with MolForge

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Related Compounds

6-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164579
4-(4-methoxyphenyl)-11-(oxolan-2-ylmethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 16653858
11-[[(2R)-oxolan-2-yl]methyl]-5-phenyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 51975773
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
8-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865048
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735
3-[[(2R)-oxolan-2-yl]methyl]-2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25344240
6-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 51567844
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172660780
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
1-(oxolan-2-ylmethyl)-N-(2-pyridin-3-ylethyl)imidazo[4,5-c]cinnoline-8-carboxamide
CID 134079761

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione?
The IUPAC name of 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione (CID 66499564) is 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione.
What is the SMILES notation for 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione?
The canonical SMILES for 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione is O=c1c2cnc3ccn(Cc4cccnc4)c(=O)c3c2ccn1CC1CCCO1.
What is the InChIKey of 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione?
The InChIKey is QATIRGGUGCBFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21-18-12-24-19-6-9-25(13-15-3-1-7-23-11-15)22(28)20(19)17(18)5-8-26(21)14-16-4-2-10-29-16/h1,3,5-9,11-12,16H,2,4,10,13-14H2.
What are the key properties of 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione?
8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione has a molecular weight of 388.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)pyrido[3,4-c][1,6]naphthyridine-1,7-dione is sourced from PubChem (CID 66499564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).