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

C25H36N6O — CID 1171383

IUPAC3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C25H36N6O/c1-6-25(4,5)31-23(27-28-29-31)16-30(20-10-8-7-9-11-20)15-19-14-21-18(3)12-17(2)13-22(21)26-24(19)32/h12-14,20H,6-11,15-16H2,1-5H3,(H,26,32)
InChIKeyHYHFCOIDZRQYLL-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.61
Rot. Bonds7

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

3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (PubChem CID 1171383) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
PubChem CID1171383
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C25H36N6O/c1-6-25(4,5)31-23(27-28-29-31)16-30(20-10-8-7-9-11-20)15-19-14-21-18(3)12-17(2)13-22(21)26-24(19)32/h12-14,20H,6-11,15-16H2,1-5H3,(H,26,32)
InChIKeyHYHFCOIDZRQYLL-UHFFFAOYSA-N
XLogP4.61
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5,7-dimethyl-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 1171381
3-[[cyclopentyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199845
3-[[cyclopentyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3186310
3-[[cyclohexyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464070
3-[[cyclopentyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1463915
3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170682
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171385
8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1464315
3-[[benzyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3199836
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464110
3-[[1,3-benzodioxol-5-ylmethyl-[(1-tert-butyltetrazol-5-yl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171369
5,7-dimethyl-3-[[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 3199843

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one (CID 1171383) is 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is CCC(C)(C)n1nnnc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
The InChIKey is HYHFCOIDZRQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-6-25(4,5)31-23(27-28-29-31)16-30(20-10-8-7-9-11-20)15-19-14-21-18(3)12-17(2)13-22(21)26-24(19)32/h12-14,20H,6-11,15-16H2,1-5H3,(H,26,32).
What are the key properties of 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one?
3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one has a molecular weight of 436.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1171383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).