3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

C26H38N6O2 — CID 3203277

IUPAC3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(C(C)C)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C26H38N6O2/c1-17(2)24(25-28-29-30-32(25)11-12-34-5)31(22-9-7-6-8-10-22)16-21-15-20-13-18(3)19(4)14-23(20)27-26(21)33/h13-15,17,22,24H,6-12,16H2,1-5H3,(H,27,33)
InChIKeyRRTATDBJDPITGV-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.31
Rot. Bonds9

About 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3203277) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3203277
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(C(C)C)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C26H38N6O2/c1-17(2)24(25-28-29-30-32(25)11-12-34-5)31(22-9-7-6-8-10-22)16-21-15-20-13-18(3)19(4)14-23(20)27-26(21)33/h13-15,17,22,24H,6-12,16H2,1-5H3,(H,27,33)
InChIKeyRRTATDBJDPITGV-UHFFFAOYSA-N
XLogP4.31
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[cyclopentyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203216
3-[[cyclopentyl-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 7382687
3-[[cyclohexyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 51668070
3-[[[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-cyclopentylamino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203086
ethyl 2-[5-[1-[cyclopentyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3199766
(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7383243
3-[[cyclopentyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 51668136
8-[[2-hydroxyethyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3203169
3-[[(4-fluorophenyl)methyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3199815
3-[[[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203055
3-[[cyclopentyl-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204427
3-[[cyclopentyl-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203335

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3203277) is 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is COCCn1nnnc1C(C(C)C)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is RRTATDBJDPITGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-17(2)24(25-28-29-30-32(25)11-12-34-5)31(22-9-7-6-8-10-22)16-21-15-20-13-18(3)19(4)14-23(20)27-26(21)33/h13-15,17,22,24H,6-12,16H2,1-5H3,(H,27,33).
What are the key properties of 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 466.63 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3203277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).