2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

C24H33N7O — CID 118589193

IUPAC2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCOCC1(c2nc3c(c(-c4ccnn4C)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCCC1
InChIInChI=1S/C24H33N7O/c1-23(2)12-8-17-16(14-23)19(18-9-13-25-31(18)3)20(22-27-29-30-28-22)21(26-17)24(15-32-4)10-6-5-7-11-24/h9,13H,5-8,10-12,14-15H2,1-4H3,(H,27,28,29,30)
InChIKeyFQDBZLPKQFCLFM-UHFFFAOYSA-N
MW435.58 g/mol
LogP4.03
Rot. Bonds5

About 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (PubChem CID 118589193) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
PubChem CID118589193
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCOCC1(c2nc3c(c(-c4ccnn4C)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCCC1
InChIInChI=1S/C24H33N7O/c1-23(2)12-8-17-16(14-23)19(18-9-13-25-31(18)3)20(22-27-29-30-28-22)21(26-17)24(15-32-4)10-6-5-7-11-24/h9,13H,5-8,10-12,14-15H2,1-4H3,(H,27,28,29,30)
InChIKeyFQDBZLPKQFCLFM-UHFFFAOYSA-N
XLogP4.03
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The IUPAC name of 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (CID 118589193) is 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The canonical SMILES for 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is COCC1(c2nc3c(c(-c4ccnn4C)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCCC1.
What is the InChIKey of 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The InChIKey is FQDBZLPKQFCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-23(2)12-8-17-16(14-23)19(18-9-13-25-31(18)3)20(22-27-29-30-28-22)21(26-17)24(15-32-4)10-6-5-7-11-24/h9,13H,5-8,10-12,14-15H2,1-4H3,(H,27,28,29,30).
What are the key properties of 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline has a molecular weight of 435.58 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)cyclohexyl]-6,6-dimethyl-4-(2-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 118589193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).