3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one

C24H34N6O — CID 1170682

IUPAC3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1
InChIInChI=1S/C24H34N6O/c1-5-17-11-12-21-18(13-17)14-19(23(31)25-21)15-29(20-9-7-6-8-10-20)16-22-26-27-28-30(22)24(2,3)4/h11-14,20H,5-10,15-16H2,1-4H3,(H,25,31)
InChIKeyFJZBHPOMARVANU-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.17
Rot. Bonds6

About 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one

3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one (PubChem CID 1170682) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one
PubChem CID1170682
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1
InChIInChI=1S/C24H34N6O/c1-5-17-11-12-21-18(13-17)14-19(23(31)25-21)15-29(20-9-7-6-8-10-20)16-22-26-27-28-30(22)24(2,3)4/h11-14,20H,5-10,15-16H2,1-4H3,(H,25,31)
InChIKeyFJZBHPOMARVANU-UHFFFAOYSA-N
XLogP4.17
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one with MolForge

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Related Compounds

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-[[(1-tert-butyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170678
3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171383
3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171725
3-[[(1-benzyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171766
3-[[(1-tert-butyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3200452
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1464087
3-[[1-(1-cyclohexyltetrazol-5-yl)butyl-cyclopentylamino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3203460
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(2-phenylethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170713
3-[[1-(1-tert-butyltetrazol-5-yl)propyl-[(4-methylphenyl)methyl]amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 3199208
3-[[(1-tert-butyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170561
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one (CID 1170682) is 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1.
What is the InChIKey of 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one?
The InChIKey is FJZBHPOMARVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-5-17-11-12-21-18(13-17)14-19(23(31)25-21)15-29(20-9-7-6-8-10-20)16-22-26-27-28-30(22)24(2,3)4/h11-14,20H,5-10,15-16H2,1-4H3,(H,25,31).
What are the key properties of 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one?
3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one has a molecular weight of 422.58 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 1170682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).