2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine

C23H25N5O3 — CID 91369350

IUPAC2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine
SMILESCCNCCOc1cncc(-c2cc3c(cn2)c(N)nc2cc(OC)c(OC)cc23)c1
InChIInChI=1S/C23H25N5O3/c1-4-25-5-6-31-15-7-14(11-26-12-15)19-8-16-17-9-21(29-2)22(30-3)10-20(17)28-23(24)18(16)13-27-19/h7-13,25H,4-6H2,1-3H3,(H2,24,28)
InChIKeyATGVEXHAGGYODG-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.43
Rot. Bonds8

About 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine

2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine (PubChem CID 91369350) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine.

Molecular Properties

Compound Name2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine
PubChem CID91369350
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine
SMILESCCNCCOc1cncc(-c2cc3c(cn2)c(N)nc2cc(OC)c(OC)cc23)c1
InChIInChI=1S/C23H25N5O3/c1-4-25-5-6-31-15-7-14(11-26-12-15)19-8-16-17-9-21(29-2)22(30-3)10-20(17)28-23(24)18(16)13-27-19/h7-13,25H,4-6H2,1-3H3,(H2,24,28)
InChIKeyATGVEXHAGGYODG-UHFFFAOYSA-N
XLogP3.43
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine?
The IUPAC name of 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine (CID 91369350) is 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine.
What is the SMILES notation for 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine?
The canonical SMILES for 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine is CCNCCOc1cncc(-c2cc3c(cn2)c(N)nc2cc(OC)c(OC)cc23)c1.
What is the InChIKey of 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine?
The InChIKey is ATGVEXHAGGYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-4-25-5-6-31-15-7-14(11-26-12-15)19-8-16-17-9-21(29-2)22(30-3)10-20(17)28-23(24)18(16)13-27-19/h7-13,25H,4-6H2,1-3H3,(H2,24,28).
What are the key properties of 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine?
2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine has a molecular weight of 419.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(ethylamino)ethoxy]-3-pyridinyl]-8,9-dimethoxybenzo[c][2,7]naphthyridin-5-amine is sourced from PubChem (CID 91369350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).