3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine

C24H19N5O3 — CID 90709666

IUPAC3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine
SMILESCOc1cc2ncc3cnc(-c4cncc(Oc5cnccc5N)c4)cc3c2cc1OC
InChIInChI=1S/C24H19N5O3/c1-30-22-7-18-17-6-20(28-10-15(17)11-29-21(18)8-23(22)31-2)14-5-16(12-27-9-14)32-24-13-26-4-3-19(24)25/h3-13H,1-2H3,(H2,25,26)
InChIKeyZJKPSIZTXCSZME-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.63
Rot. Bonds5

About 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine

3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine (PubChem CID 90709666) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine.

Molecular Properties

Compound Name3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine
PubChem CID90709666
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine
SMILESCOc1cc2ncc3cnc(-c4cncc(Oc5cnccc5N)c4)cc3c2cc1OC
InChIInChI=1S/C24H19N5O3/c1-30-22-7-18-17-6-20(28-10-15(17)11-29-21(18)8-23(22)31-2)14-5-16(12-27-9-14)32-24-13-26-4-3-19(24)25/h3-13H,1-2H3,(H2,25,26)
InChIKeyZJKPSIZTXCSZME-UHFFFAOYSA-N
XLogP4.63
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine with MolForge

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Related Compounds

2-[5-[(4-amino-2-pyridinyl)oxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69170042
2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
CID 87721313
2-[5-(3-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171263
2-[5-(2-aminopropoxy)-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69169898
[6-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]-3-pyridinyl]carbamic acid
CID 69171636
2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine
CID 91369350
4-(6,7-dimethoxyisoquinolin-4-yl)oxyaniline
CID 143309051
2-[5-[(2R)-2-amino-3-[(4-chloro-2-pyridinyl)oxy]propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69171077
2-[5-[(2S)-2-amino-3-(2-chlorophenyl)propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 46193131
2-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-9-methoxy-8-(pyridin-3-ylmethoxy)benzo[f][2,7]naphthyridin-4-amine
CID 69171450
2-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 46193129
2-(6,7-dimethoxyquinolin-3-yl)oxyaniline
CID 141479585

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine?
The IUPAC name of 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine (CID 90709666) is 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine.
What is the SMILES notation for 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine?
The canonical SMILES for 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine is COc1cc2ncc3cnc(-c4cncc(Oc5cnccc5N)c4)cc3c2cc1OC.
What is the InChIKey of 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine?
The InChIKey is ZJKPSIZTXCSZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-30-22-7-18-17-6-20(28-10-15(17)11-29-21(18)8-23(22)31-2)14-5-16(12-27-9-14)32-24-13-26-4-3-19(24)25/h3-13H,1-2H3,(H2,25,26).
What are the key properties of 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine?
3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine has a molecular weight of 425.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]pyridin-4-amine is sourced from PubChem (CID 90709666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).