9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine

C20H24N4O3 — CID 25059884

IUPAC9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine
SMILESCOCCOc1cc2ncc3c(N)nc(N4CCCC4)cc3c2cc1OC
InChIInChI=1S/C20H24N4O3/c1-25-7-8-27-18-11-16-14(9-17(18)26-2)13-10-19(24-5-3-4-6-24)23-20(21)15(13)12-22-16/h9-12H,3-8H2,1-2H3,(H2,21,23)
InChIKeyQYBLPWYOUIXTHP-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.00
Rot. Bonds6

About 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine

9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine (PubChem CID 25059884) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine
PubChem CID25059884
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine
SMILESCOCCOc1cc2ncc3c(N)nc(N4CCCC4)cc3c2cc1OC
InChIInChI=1S/C20H24N4O3/c1-25-7-8-27-18-11-16-14(9-17(18)26-2)13-10-19(24-5-3-4-6-24)23-20(21)15(13)12-22-16/h9-12H,3-8H2,1-2H3,(H2,21,23)
InChIKeyQYBLPWYOUIXTHP-UHFFFAOYSA-N
XLogP3.00
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine (CID 25059884) is 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine is COCCOc1cc2ncc3c(N)nc(N4CCCC4)cc3c2cc1OC.
What is the InChIKey of 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is QYBLPWYOUIXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-25-7-8-27-18-11-16-14(9-17(18)26-2)13-10-19(24-5-3-4-6-24)23-20(21)15(13)12-22-16/h9-12H,3-8H2,1-2H3,(H2,21,23).
What are the key properties of 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine?
9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-8-(2-methoxyethoxy)-2-pyrrolidin-1-ylbenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 25059884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).