3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol

C18H26N2O2 — CID 170117712

IUPAC3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol
SMILESC=C1CCc2cc(OCCC(C)C)cnc2N1C1CC(O)C1
InChIInChI=1S/C18H26N2O2/c1-12(2)6-7-22-17-8-14-5-4-13(3)20(18(14)19-11-17)15-9-16(21)10-15/h8,11-12,15-16,21H,3-7,9-10H2,1-2H3
InChIKeyWUYCUUSCUDWJRD-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.30
Rot. Bonds5

About 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol

3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol (PubChem CID 170117712) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol
PubChem CID170117712
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol
SMILESC=C1CCc2cc(OCCC(C)C)cnc2N1C1CC(O)C1
InChIInChI=1S/C18H26N2O2/c1-12(2)6-7-22-17-8-14-5-4-13(3)20(18(14)19-11-17)15-9-16(21)10-15/h8,11-12,15-16,21H,3-7,9-10H2,1-2H3
InChIKeyWUYCUUSCUDWJRD-UHFFFAOYSA-N
XLogP3.30
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol (CID 170117712) is 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol is C=C1CCc2cc(OCCC(C)C)cnc2N1C1CC(O)C1.
What is the InChIKey of 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol?
The InChIKey is WUYCUUSCUDWJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)6-7-22-17-8-14-5-4-13(3)20(18(14)19-11-17)15-9-16(21)10-15/h8,11-12,15-16,21H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol?
3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylbutoxy)-2-methylidene-3,4-dihydro-1,8-naphthyridin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 170117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).