8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C24H32N6O3 — CID 1464315

IUPAC8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1
InChIInChI=1S/C24H32N6O3/c1-24(2,3)30-22(26-27-28-30)15-29(18-7-5-4-6-8-18)14-17-11-16-12-20-21(33-10-9-32-20)13-19(16)25-23(17)31/h11-13,18H,4-10,14-15H2,1-3H3,(H,25,31)
InChIKeyGNVZGLMULXMBNF-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.38
Rot. Bonds5

About 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 1464315) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID1464315
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1
InChIInChI=1S/C24H32N6O3/c1-24(2,3)30-22(26-27-28-30)15-29(18-7-5-4-6-8-18)14-17-11-16-12-20-21(33-10-9-32-20)13-19(16)25-23(17)31/h11-13,18H,4-10,14-15H2,1-3H3,(H,25,31)
InChIKeyGNVZGLMULXMBNF-UHFFFAOYSA-N
XLogP3.38
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Related Compounds

3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170682
7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465387
8-[[(1-tert-butyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 23800692
7-[[cyclohexyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465391
3-[[cyclohexyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171383
7-[[cyclopentyl-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1437908
3-[[(1-tert-butyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170561
8-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-hydroxypropyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3199137
8-[[cyclopentyl-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 1437155
3-[[cyclopentyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170629
ethyl 2-[5-[(1R)-1-[cyclohexyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 1464875
3-[[cyclohexyl-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171532

Frequently Asked Questions

What is the IUPAC name of 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 1464315) is 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CC(C)(C)n1nnnc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1.
What is the InChIKey of 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is GNVZGLMULXMBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-24(2,3)30-22(26-27-28-30)15-29(18-7-5-4-6-8-18)14-17-11-16-12-20-21(33-10-9-32-20)13-19(16)25-23(17)31/h11-13,18H,4-10,14-15H2,1-3H3,(H,25,31).
What are the key properties of 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 452.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 1464315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).