1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol

C20H20N2O2 — CID 166457899

IUPAC1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol
SMILESCOc1nc2ccncc2cc1Cc1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-19-15(12-16-13-21-10-7-18(16)22-19)11-14-3-5-17(6-4-14)20(23)8-2-9-20/h3-7,10,12-13,23H,2,8-9,11H2,1H3
InChIKeyMMCUVQPFIZTKIX-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.60
Rot. Bonds4

About 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol

1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol (PubChem CID 166457899) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol
PubChem CID166457899
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol
SMILESCOc1nc2ccncc2cc1Cc1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C20H20N2O2/c1-24-19-15(12-16-13-21-10-7-18(16)22-19)11-14-3-5-17(6-4-14)20(23)8-2-9-20/h3-7,10,12-13,23H,2,8-9,11H2,1H3
InChIKeyMMCUVQPFIZTKIX-UHFFFAOYSA-N
XLogP3.60
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]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 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol?
The IUPAC name of 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol (CID 166457899) is 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol is COc1nc2ccncc2cc1Cc1ccc(C2(O)CCC2)cc1.
What is the InChIKey of 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol?
The InChIKey is MMCUVQPFIZTKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-19-15(12-16-13-21-10-7-18(16)22-19)11-14-3-5-17(6-4-14)20(23)8-2-9-20/h3-7,10,12-13,23H,2,8-9,11H2,1H3.
What are the key properties of 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol?
1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol has a molecular weight of 320.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxy-1,6-naphthyridin-3-yl)methyl]phenyl]cyclobutan-1-ol is sourced from PubChem (CID 166457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).