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

C24H29N5O2 — CID 90042826

IUPAC2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCOCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCO1
InChIInChI=1S/C24H29N5O2/c1-23(2)12-10-18-17(14-23)19(16-8-5-4-6-9-16)20(22-26-28-29-27-22)21(25-18)24(15-30-3)11-7-13-31-24/h4-6,8-9H,7,10-15H2,1-3H3,(H,26,27,28,29)
InChIKeyAGWJOSPDGVWHQQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.10
Rot. Bonds5

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

2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (PubChem CID 90042826) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
PubChem CID90042826
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCOCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCO1
InChIInChI=1S/C24H29N5O2/c1-23(2)12-10-18-17(14-23)19(16-8-5-4-6-9-16)20(22-26-28-29-27-22)21(25-18)24(15-30-3)11-7-13-31-24/h4-6,8-9H,7,10-15H2,1-3H3,(H,26,27,28,29)
InChIKeyAGWJOSPDGVWHQQ-UHFFFAOYSA-N
XLogP4.10
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The IUPAC name of 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (CID 90042826) is 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The canonical SMILES for 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is COCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CC(C)(C)CC3)CCCO1.
What is the InChIKey of 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The InChIKey is AGWJOSPDGVWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-23(2)12-10-18-17(14-23)19(16-8-5-4-6-9-16)20(22-26-28-29-27-22)21(25-18)24(15-30-3)11-7-13-31-24/h4-6,8-9H,7,10-15H2,1-3H3,(H,26,27,28,29).
What are the key properties of 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline has a molecular weight of 419.53 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)oxolan-2-yl]-6,6-dimethyl-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 90042826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).