ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol

C20H32N2O2 — CID 168997905

IUPACethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol
SMILESCC.CC.CCCOc1cnc2c(C3CC(C)(O)C3)nccc2c1
InChIInChI=1S/C16H20N2O2.2C2H6/c1-3-6-20-13-7-11-4-5-17-15(14(11)18-10-13)12-8-16(2,19)9-12;2*1-2/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3;2*1-2H3
InChIKeyVRTVYCORSBXAOI-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.10
Rot. Bonds4

About ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol

ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol (PubChem CID 168997905) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol.

Molecular Properties

Compound Nameethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol
PubChem CID168997905
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nameethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol
SMILESCC.CC.CCCOc1cnc2c(C3CC(C)(O)C3)nccc2c1
InChIInChI=1S/C16H20N2O2.2C2H6/c1-3-6-20-13-7-11-4-5-17-15(14(11)18-10-13)12-8-16(2,19)9-12;2*1-2/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3;2*1-2H3
InChIKeyVRTVYCORSBXAOI-UHFFFAOYSA-N
XLogP5.10
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol?
The IUPAC name of ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol (CID 168997905) is ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol.
What is the SMILES notation for ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol?
The canonical SMILES for ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol is CC.CC.CCCOc1cnc2c(C3CC(C)(O)C3)nccc2c1.
What is the InChIKey of ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol?
The InChIKey is VRTVYCORSBXAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.2C2H6/c1-3-6-20-13-7-11-4-5-17-15(14(11)18-10-13)12-8-16(2,19)9-12;2*1-2/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol?
ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol has a molecular weight of 332.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(3-propoxy-1,7-naphthyridin-8-yl)cyclobutan-1-ol is sourced from PubChem (CID 168997905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).