2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one

C18H16N2O2 — CID 21276671

IUPAC2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one
SMILESCC1(C)Cc2c(c3cccnc3n(-c3ccccc3)c2=O)O1
InChIInChI=1S/C18H16N2O2/c1-18(2)11-14-15(22-18)13-9-6-10-19-16(13)20(17(14)21)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyROPONZRFLDPLAR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.10
Rot. Bonds1

About 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one

2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one (PubChem CID 21276671) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one
PubChem CID21276671
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one
SMILESCC1(C)Cc2c(c3cccnc3n(-c3ccccc3)c2=O)O1
InChIInChI=1S/C18H16N2O2/c1-18(2)11-14-15(22-18)13-9-6-10-19-16(13)20(17(14)21)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyROPONZRFLDPLAR-UHFFFAOYSA-N
XLogP3.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one?
The IUPAC name of 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one (CID 21276671) is 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one?
The canonical SMILES for 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one is CC1(C)Cc2c(c3cccnc3n(-c3ccccc3)c2=O)O1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one?
The InChIKey is ROPONZRFLDPLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-18(2)11-14-15(22-18)13-9-6-10-19-16(13)20(17(14)21)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one?
2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-3H-furo[3,2-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 21276671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).