3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C25H36N6O2 — CID 124899755

IUPAC3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1
InChIInChI=1S/C25H36N6O2/c1-7-21(23-27-28-29-31(23)25(4,5)6)30(15-20-9-8-10-33-20)14-19-13-18-12-16(2)11-17(3)22(18)26-24(19)32/h11-13,20-21H,7-10,14-15H2,1-6H3,(H,26,32)/t20-,21-/m1/s1
InChIKeyZLPYMQPVJBAOFT-NHCUHLMSSA-N
MW452.60 g/mol
LogP4.02
Rot. Bonds7

About 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 124899755) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID124899755
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC Name3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1
InChIInChI=1S/C25H36N6O2/c1-7-21(23-27-28-29-31(23)25(4,5)6)30(15-20-9-8-10-33-20)14-19-13-18-12-16(2)11-17(3)22(18)26-24(19)32/h11-13,20-21H,7-10,14-15H2,1-6H3,(H,26,32)/t20-,21-/m1/s1
InChIKeyZLPYMQPVJBAOFT-NHCUHLMSSA-N
XLogP4.02
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899727
3-[[[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899445
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 51625369
3-[[2-hydroxyethyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23829509
6,8-dimethyl-3-[[[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 1465418
3-[(S)-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124898112
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-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1436118
6,8-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-[2-(3-methylphenyl)ethyl]amino]methyl]-1H-quinolin-2-one
CID 3201229
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
3-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3187476

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 124899755) is 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is CC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1.
What is the InChIKey of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is ZLPYMQPVJBAOFT-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-7-21(23-27-28-29-31(23)25(4,5)6)30(15-20-9-8-10-33-20)14-19-13-18-12-16(2)11-17(3)22(18)26-24(19)32/h11-13,20-21H,7-10,14-15H2,1-6H3,(H,26,32)/t20-,21-/m1/s1.
What are the key properties of 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 452.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 124899755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).