3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

C28H30N2O2 — CID 110530940

About 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (PubChem CID 110530940) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

• Compound Name: 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
• PubChem CID: 110530940
• Molecular Formula: C28H30N2O2
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.23
• IUPAC Name: 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
• SMILES: CCN1CCc2c(c(-c3ccc(OC)c(OC(C)C)c3)nc3ccc4ccccc4c23)C1
• InChI: InChI=1S/C28H30N2O2/c1-5-30-15-14-22-23(17-30)28(20-11-13-25(31-4)26(16-20)32-18(2)3)29-24-12-10-19-8-6-7-9-21(19)27(22)24/h6-13,16,18H,5,14-15,17H2,1-4H3
• InChIKey: YHWMCIKGNGGDOS-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 34.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

The IUPAC name of 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (CID 110530940) is 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

What is the SMILES notation for 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

The canonical SMILES for 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is CCN1CCc2c(c(-c3ccc(OC)c(OC(C)C)c3)nc3ccc4ccccc4c23)C1.

What is the InChIKey of 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

The InChIKey is YHWMCIKGNGGDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-5-30-15-14-22-23(17-30)28(20-11-13-25(31-4)26(16-20)32-18(2)3)29-24-12-10-19-8-6-7-9-21(19)27(22)24/h6-13,16,18H,5,14-15,17H2,1-4H3.

What are the key properties of 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?

3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine has a molecular weight of 426.56 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110530940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).