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

C24H18N4O3 — CID 43865060

IUPAC2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOc1cccc(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C24H18N4O3/c1-31-18-7-4-6-17(13-18)28-12-9-22-20(24(28)30)14-19-21(26-22)8-11-27(23(19)29)15-16-5-2-3-10-25-16/h2-14H,15H2,1H3
InChIKeyBCGHZQDOVSPKSI-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.15
Rot. Bonds4

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

2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 43865060) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID43865060
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESCOc1cccc(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)c1
InChIInChI=1S/C24H18N4O3/c1-31-18-7-4-6-17(13-18)28-12-9-22-20(24(28)30)14-19-21(26-22)8-11-27(23(19)29)15-16-5-2-3-10-25-16/h2-14H,15H2,1H3
InChIKeyBCGHZQDOVSPKSI-UHFFFAOYSA-N
XLogP3.15
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 43865060) is 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is COc1cccc(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is BCGHZQDOVSPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-31-18-7-4-6-17(13-18)28-12-9-22-20(24(28)30)14-19-21(26-22)8-11-27(23(19)29)15-16-5-2-3-10-25-16/h2-14H,15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione?
2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 410.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 43865060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).