9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine

C19H24N4O4 — CID 25059887

IUPAC9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine
SMILESCOCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc32)c(N)n1
InChIInChI=1S/C19H24N4O4/c1-24-5-4-21-18-9-12-13-8-16(26-3)17(27-7-6-25-2)10-15(13)22-11-14(12)19(20)23-18/h8-11H,4-7H2,1-3H3,(H3,20,21,23)
InChIKeyAZABWVYKNQPYTM-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.46
Rot. Bonds9

About 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine

9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine (PubChem CID 25059887) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine.

Molecular Properties

Compound Name9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine
PubChem CID25059887
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine
SMILESCOCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc32)c(N)n1
InChIInChI=1S/C19H24N4O4/c1-24-5-4-21-18-9-12-13-8-16(26-3)17(27-7-6-25-2)10-15(13)22-11-14(12)19(20)23-18/h8-11H,4-7H2,1-3H3,(H3,20,21,23)
InChIKeyAZABWVYKNQPYTM-UHFFFAOYSA-N
XLogP2.46
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.46
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 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine?
The IUPAC name of 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine (CID 25059887) is 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine.
What is the SMILES notation for 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine?
The canonical SMILES for 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine is COCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc32)c(N)n1.
What is the InChIKey of 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine?
The InChIKey is AZABWVYKNQPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-24-5-4-21-18-9-12-13-8-16(26-3)17(27-7-6-25-2)10-15(13)22-11-14(12)19(20)23-18/h8-11H,4-7H2,1-3H3,(H3,20,21,23).
What are the key properties of 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine?
9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine has a molecular weight of 372.43 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-8-(2-methoxyethoxy)-2-N-(2-methoxyethyl)benzo[f][2,7]naphthyridine-2,4-diamine is sourced from PubChem (CID 25059887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).