3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one

C24H32N6O2 — CID 650094

IUPAC3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C24H32N6O2/c1-17-9-10-18-13-19(24(31)25-22(18)12-17)14-29(15-21-8-5-11-32-21)16-23-26-27-28-30(23)20-6-3-2-4-7-20/h9-10,12-13,20-21H,2-8,11,14-16H2,1H3,(H,25,31)
InChIKeyQTQLOLPAYJQSQY-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.51
Rot. Bonds7

About 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one

3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 650094) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID650094
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C24H32N6O2/c1-17-9-10-18-13-19(24(31)25-22(18)12-17)14-29(15-21-8-5-11-32-21)16-23-26-27-28-30(23)20-6-3-2-4-7-20/h9-10,12-13,20-21H,2-8,11,14-16H2,1H3,(H,25,31)
InChIKeyQTQLOLPAYJQSQY-UHFFFAOYSA-N
XLogP3.51
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one (CID 650094) is 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is QTQLOLPAYJQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-9-10-18-13-19(24(31)25-22(18)12-17)14-29(15-21-8-5-11-32-21)16-23-26-27-28-30(23)20-6-3-2-4-7-20/h9-10,12-13,20-21H,2-8,11,14-16H2,1H3,(H,25,31).
What are the key properties of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 436.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 650094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).