1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol

C24H32N2O2 — CID 148520732

IUPAC1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol
SMILESOC(COc1cccc(CCC2CCCC2)c1)CN1CCc2ccncc2C1
InChIInChI=1S/C24H32N2O2/c27-23(17-26-13-11-21-10-12-25-15-22(21)16-26)18-28-24-7-3-6-20(14-24)9-8-19-4-1-2-5-19/h3,6-7,10,12,14-15,19,23,27H,1-2,4-5,8-9,11,13,16-18H2
InChIKeyMOIVBVJPTVSMNG-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.00
Rot. Bonds8

About 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol

1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol (PubChem CID 148520732) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol
PubChem CID148520732
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol
SMILESOC(COc1cccc(CCC2CCCC2)c1)CN1CCc2ccncc2C1
InChIInChI=1S/C24H32N2O2/c27-23(17-26-13-11-21-10-12-25-15-22(21)16-26)18-28-24-7-3-6-20(14-24)9-8-19-4-1-2-5-19/h3,6-7,10,12,14-15,19,23,27H,1-2,4-5,8-9,11,13,16-18H2
InChIKeyMOIVBVJPTVSMNG-UHFFFAOYSA-N
XLogP4.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(oxan-4-yl)ethyl]phenoxy]propan-2-ol
CID 147366412
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 72898065
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-hexylphenoxy)propan-2-ol
CID 157112112
1-[3-[(benzylamino)methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45239451
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
CID 45224061
1-[3-[[dicyclopropylmethyl(methyl)amino]methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45206262
methyl 1-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate
CID 45236545
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol
CID 25385262
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 26406279
1-[3-[[3-cyclopentylpropyl(methyl)amino]methyl]phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 45195045
1-[3-[(cyclopentylamino)methyl]phenoxy]-3-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335442

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol?
The IUPAC name of 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol (CID 148520732) is 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol.
What is the SMILES notation for 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol?
The canonical SMILES for 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol is OC(COc1cccc(CCC2CCCC2)c1)CN1CCc2ccncc2C1.
What is the InChIKey of 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol?
The InChIKey is MOIVBVJPTVSMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-23(17-26-13-11-21-10-12-25-15-22(21)16-26)18-28-24-7-3-6-20(14-24)9-8-19-4-1-2-5-19/h3,6-7,10,12,14-15,19,23,27H,1-2,4-5,8-9,11,13,16-18H2.
What are the key properties of 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol?
1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol has a molecular weight of 380.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopentylethyl)phenoxy]-3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)propan-2-ol is sourced from PubChem (CID 148520732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).