3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

C19H18N4O2 — CID 3071977

IUPAC3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCOCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H18N4O2/c1-2-25-12-11-22-13-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3
InChIKeyKBZIXAAXNOSVCP-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.77
Rot. Bonds5

About 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 3071977) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID3071977
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCOCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H18N4O2/c1-2-25-12-11-22-13-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3
InChIKeyKBZIXAAXNOSVCP-UHFFFAOYSA-N
XLogP2.77
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one (CID 3071977) is 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is CCOCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is KBZIXAAXNOSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-12-11-22-13-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one?
3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 334.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 3071977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).