ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate

C24H32N6O4 — CID 3201051

IUPACethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C24H32N6O4/c1-4-21(23-26-27-28-30(23)15-22(31)33-5-2)29(14-19-7-6-10-34-19)13-18-12-17-11-16(3)8-9-20(17)25-24(18)32/h8-9,11-12,19,21H,4-7,10,13-15H2,1-3H3,(H,25,32)
InChIKeyOFKDRUABGYQCHL-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.52
Rot. Bonds10

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

ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate (PubChem CID 3201051) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
PubChem CID3201051
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Nameethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C24H32N6O4/c1-4-21(23-26-27-28-30(23)15-22(31)33-5-2)29(14-19-7-6-10-34-19)13-18-12-17-11-16(3)8-9-20(17)25-24(18)32/h8-9,11-12,19,21H,4-7,10,13-15H2,1-3H3,(H,25,32)
InChIKeyOFKDRUABGYQCHL-UHFFFAOYSA-N
XLogP2.52
TPSA115.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

ethyl 2-[5-[(1R)-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propyl]tetrazol-1-yl]acetate
CID 124899507
6-methyl-3-[[oxolan-2-ylmethyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3201052
ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3200844
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-[(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
3-[[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3199446
6-methyl-3-[[[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 6557705
6-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(oxolan-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3204275
ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3199766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate (CID 3201051) is ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1C(CC)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1.
What is the InChIKey of ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
The InChIKey is OFKDRUABGYQCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-4-21(23-26-27-28-30(23)15-22(31)33-5-2)29(14-19-7-6-10-34-19)13-18-12-17-11-16(3)8-9-20(17)25-24(18)32/h8-9,11-12,19,21H,4-7,10,13-15H2,1-3H3,(H,25,32).
What are the key properties of ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate has a molecular weight of 468.56 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 3201051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).