3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one

C26H38N6O3 — CID 3204192

IUPAC3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3C(C)(C)C)C(C)C)cc2c1
InChIInChI=1S/C26H38N6O3/c1-7-34-20-10-11-22-18(14-20)13-19(25(33)27-22)15-31(16-21-9-8-12-35-21)23(17(2)3)24-28-29-30-32(24)26(4,5)6/h10-11,13-14,17,21,23H,7-9,12,15-16H2,1-6H3,(H,27,33)
InChIKeyWGLRTVQVOMDASK-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.05
Rot. Bonds9

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

3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 3204192) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID3204192
Molecular FormulaC26H38N6O3
Molecular Weight482.63 g/mol
Exact Mass482.30
IUPAC Name3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3C(C)(C)C)C(C)C)cc2c1
InChIInChI=1S/C26H38N6O3/c1-7-34-20-10-11-22-18(14-20)13-19(25(33)27-22)15-31(16-21-9-8-12-35-21)23(17(2)3)24-28-29-30-32(24)26(4,5)6/h10-11,13-14,17,21,23H,7-9,12,15-16H2,1-6H3,(H,27,33)
InChIKeyWGLRTVQVOMDASK-UHFFFAOYSA-N
XLogP4.05
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
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
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1436118
7-methoxy-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(oxolan-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3203119
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204213
3-[[(2-chlorophenyl)methyl-[(1S)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 124899694
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203077
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
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 124899601
6-ethoxy-3-[[furan-2-ylmethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3204312
7,8-dimethyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(oxolan-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3203348

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (CID 3204192) is 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(c3nnnn3C(C)(C)C)C(C)C)cc2c1.
What is the InChIKey of 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is WGLRTVQVOMDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-7-34-20-10-11-22-18(14-20)13-19(25(33)27-22)15-31(16-21-9-8-12-35-21)23(17(2)3)24-28-29-30-32(24)26(4,5)6/h10-11,13-14,17,21,23H,7-9,12,15-16H2,1-6H3,(H,27,33).
What are the key properties of 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 482.63 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3204192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).