8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine

C20H17N3O2 — CID 58168023

IUPAC8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine
SMILESCOc1cc2c(Nc3ccccc3)nc3ncccc3c2cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-17-11-15-14-9-6-10-21-19(14)23-20(16(15)12-18(17)25-2)22-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyFZBZSAIOLWELII-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.54
Rot. Bonds4

About 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine

8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine (PubChem CID 58168023) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine.

Molecular Properties

Compound Name8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine
PubChem CID58168023
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine
SMILESCOc1cc2c(Nc3ccccc3)nc3ncccc3c2cc1OC
InChIInChI=1S/C20H17N3O2/c1-24-17-11-15-14-9-6-10-21-19(14)23-20(16(15)12-18(17)25-2)22-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyFZBZSAIOLWELII-UHFFFAOYSA-N
XLogP4.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine?
The IUPAC name of 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine (CID 58168023) is 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine.
What is the SMILES notation for 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine?
The canonical SMILES for 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine is COc1cc2c(Nc3ccccc3)nc3ncccc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine?
The InChIKey is FZBZSAIOLWELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-17-11-15-14-9-6-10-21-19(14)23-20(16(15)12-18(17)25-2)22-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine?
8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine has a molecular weight of 331.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-N-phenylbenzo[c][1,8]naphthyridin-6-amine is sourced from PubChem (CID 58168023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).