8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

C26H22N4O4 — CID 43865091

IUPAC8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOc1ccc(CCn2ccc3nc4ccn(-c5ccncc5)c(=O)c4cc3c2=O)cc1OC
InChIInChI=1S/C26H22N4O4/c1-33-23-4-3-17(15-24(23)34-2)7-12-29-13-8-21-19(25(29)31)16-20-22(28-21)9-14-30(26(20)32)18-5-10-27-11-6-18/h3-6,8-11,13-16H,7,12H2,1-2H3
InChIKeyGBBQASUSXOTGER-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.36
Rot. Bonds6

About 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione

8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865091) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865091
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOc1ccc(CCn2ccc3nc4ccn(-c5ccncc5)c(=O)c4cc3c2=O)cc1OC
InChIInChI=1S/C26H22N4O4/c1-33-23-4-3-17(15-24(23)34-2)7-12-29-13-8-21-19(25(29)31)16-20-22(28-21)9-14-30(26(20)32)18-5-10-27-11-6-18/h3-6,8-11,13-16H,7,12H2,1-2H3
InChIKeyGBBQASUSXOTGER-UHFFFAOYSA-N
XLogP3.36
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.36
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

methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate
CID 71946637
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
2-(2-methoxyphenyl)-8-(3-morpholin-4-ylpropyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865095
11-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 16765802
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
CID 53339983
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865060
methyl 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
CID 54707837
1-[2-(3,4-dimethoxyphenyl)ethyl]imidazole-2-carbonitrile
CID 167905632
2-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one
CID 41078081
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172656387

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865091) is 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is COc1ccc(CCn2ccc3nc4ccn(-c5ccncc5)c(=O)c4cc3c2=O)cc1OC.
What is the InChIKey of 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is GBBQASUSXOTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-33-23-4-3-17(15-24(23)34-2)7-12-29-13-8-21-19(25(29)31)16-20-22(28-21)9-14-30(26(20)32)18-5-10-27-11-6-18/h3-6,8-11,13-16H,7,12H2,1-2H3.
What are the key properties of 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione?
8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 454.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).