6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one

C28H34N6O2 — CID 3201052

IUPAC6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C28H34N6O2/c1-3-26(27-30-31-32-34(27)14-13-21-8-5-4-6-9-21)33(19-24-10-7-15-36-24)18-23-17-22-16-20(2)11-12-25(22)29-28(23)35/h4-6,8-9,11-12,16-17,24,26H,3,7,10,13-15,18-19H2,1-2H3,(H,29,35)
InChIKeyAEJKHMIUHPPITC-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.20
Rot. Bonds10

About 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 3201052) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
PubChem CID3201052
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
SMILESCCC(c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C28H34N6O2/c1-3-26(27-30-31-32-34(27)14-13-21-8-5-4-6-9-21)33(19-24-10-7-15-36-24)18-23-17-22-16-20(2)11-12-25(22)29-28(23)35/h4-6,8-9,11-12,16-17,24,26H,3,7,10,13-15,18-19H2,1-2H3,(H,29,35)
InChIKeyAEJKHMIUHPPITC-UHFFFAOYSA-N
XLogP4.20
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
CID 3201051
3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204690
6-methyl-3-[[2-morpholin-4-ylethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3204705
3-[[benzyl-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 51667619
6-methyl-3-[[[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1465415
6-methyl-3-[[[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 51667947
3-[[1,3-benzodioxol-5-ylmethyl-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200976
3-[[cyclohexyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204150
3-[[benzyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 51667813
3-[[cyclohexyl-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 51668308
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1464527
3-[[1-(1-cyclopentyltetrazol-5-yl)propyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199260

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one (CID 3201052) is 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one is CCC(c1nnnn1CCc1ccccc1)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1.
What is the InChIKey of 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is AEJKHMIUHPPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-3-26(27-30-31-32-34(27)14-13-21-8-5-4-6-9-21)33(19-24-10-7-15-36-24)18-23-17-22-16-20(2)11-12-25(22)29-28(23)35/h4-6,8-9,11-12,16-17,24,26H,3,7,10,13-15,18-19H2,1-2H3,(H,29,35).
What are the key properties of 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one?
6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 486.62 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3201052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).