3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one

C23H34N6O3 — CID 3204477

IUPAC3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCCC(c1nnnn1C(C)(C)C)N(CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O
InChIInChI=1S/C23H34N6O3/c1-6-8-20(21-25-26-27-29(21)23(3,4)5)28(11-12-30)15-17-13-16-14-18(32-7-2)9-10-19(16)24-22(17)31/h9-10,13-14,20,30H,6-8,11-12,15H2,1-5H3,(H,24,31)
InChIKeyUZRLICOWHPYRDA-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.00
Rot. Bonds10

About 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one

3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 3204477) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID3204477
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCCC(c1nnnn1C(C)(C)C)N(CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O
InChIInChI=1S/C23H34N6O3/c1-6-8-20(21-25-26-27-29(21)23(3,4)5)28(11-12-30)15-17-13-16-14-18(32-7-2)9-10-19(16)24-22(17)31/h9-10,13-14,20,30H,6-8,11-12,15H2,1-5H3,(H,24,31)
InChIKeyUZRLICOWHPYRDA-UHFFFAOYSA-N
XLogP3.00
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204213
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 7383262
3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203600
6-ethoxy-3-[[2-hydroxyethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3204357
6-ethoxy-3-[[furan-2-ylmethyl-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-1H-quinolin-2-one
CID 1438807
6-ethoxy-3-[[[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 124899542
6-ethoxy-3-[[[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 1465470
3-[[1-(1-tert-butyltetrazol-5-yl)propyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3200778
3-[[3-hydroxypropyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203603
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204192
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[(4-methylphenyl)methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1464698
6-methyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3204505

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (CID 3204477) is 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one is CCCC(c1nnnn1C(C)(C)C)N(CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O.
What is the InChIKey of 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is UZRLICOWHPYRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-6-8-20(21-25-26-27-29(21)23(3,4)5)28(11-12-30)15-17-13-16-14-18(32-7-2)9-10-19(16)24-22(17)31/h9-10,13-14,20,30H,6-8,11-12,15H2,1-5H3,(H,24,31).
What are the key properties of 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 442.56 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-tert-butyltetrazol-5-yl)butyl-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3204477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).