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

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Related Compounds

1-(3-cyclopropyl-3-hydroxycyclobutyl)-6-(3-methylbutoxy)-3,4-dihydro-1,8-naphthyridin-2-one
CID 169030888
6-butoxy-1-[3-(hydroxymethyl)cyclobutyl]-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997722
6-bromo-1-(3-hydroxycyclobutyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168997620
5-amino-1'-[2-[[8-(3-ethylcyclobutyl)-7-oxo-5,6-dihydro-1,8-naphthyridin-3-yl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996832
4-(3-cyclopropyl-3-hydroxycyclobutyl)-11-(3-methylbutoxy)-13-azatricyclo[7.4.0.03,5]trideca-1(9),10,12-trien-6-one
CID 170052290
5-(3-methylbutoxy)-2-(1-methylsulfonylcyclopropyl)pyrimidine
CID 169030966
2-[5-(3-methylbutoxy)pyrimidin-2-yl]ethanol
CID 168997935
2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
CID 168998496
2-methyl-5-(3-methylbutoxy)pyrazine
CID 176962198
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
8-fluoro-6-(3-methylbutoxy)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 170121614
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275

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).