3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one

C24H34N6O2 — CID 1436195

IUPAC3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C24H34N6O2/c1-16(2)22(23-26-27-28-30(23)20-7-5-4-6-8-20)29(11-12-31)15-19-14-18-10-9-17(3)13-21(18)25-24(19)32/h9-10,13-14,16,20,22,31H,4-8,11-12,15H2,1-3H3,(H,25,32)/t22-/m1/s1
InChIKeyZRYCJIWSIKSPME-JOCHJYFZSA-N
MW438.58 g/mol
LogP3.52
Rot. Bonds8

About 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one

3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 1436195) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID1436195
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN(CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C24H34N6O2/c1-16(2)22(23-26-27-28-30(23)20-7-5-4-6-8-20)29(11-12-31)15-19-14-18-10-9-17(3)13-21(18)25-24(19)32/h9-10,13-14,16,20,22,31H,4-8,11-12,15H2,1-3H3,(H,25,32)/t22-/m1/s1
InChIKeyZRYCJIWSIKSPME-JOCHJYFZSA-N
XLogP3.52
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[(4-methylphenyl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203035
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203251
3-[[[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436615
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204341
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204383
3-[[cyclohexyl-[1-(1-cyclohexyltetrazol-5-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199272
3-[[cyclohexyl-[1-(1-cyclopentyltetrazol-5-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3199263
3-[[1-(1-cyclopentyltetrazol-5-yl)butyl-(2-phenylethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203480
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-cyclopentyltetrazol-5-yl)-2-methylpropyl]-[2-(2-methylphenyl)ethyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204346
3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204507

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one (CID 1436195) is 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CN(CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is ZRYCJIWSIKSPME-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-16(2)22(23-26-27-28-30(23)20-7-5-4-6-8-20)29(11-12-31)15-19-14-18-10-9-17(3)13-21(18)25-24(19)32/h9-10,13-14,16,20,22,31H,4-8,11-12,15H2,1-3H3,(H,25,32)/t22-/m1/s1.
What are the key properties of 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 438.58 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1436195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).