4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine

C20H26N6O2 — CID 70687033

IUPAC4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine
SMILESCOc1ccc2nccc(C(c3nnnn3C(C)(C)C)N3CCOCC3)c2c1
InChIInChI=1S/C20H26N6O2/c1-20(2,3)26-19(22-23-24-26)18(25-9-11-28-12-10-25)15-7-8-21-17-6-5-14(27-4)13-16(15)17/h5-8,13,18H,9-12H2,1-4H3
InChIKeyGCOLZQGPSIYWDG-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.41
Rot. Bonds4

About 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine

4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine (PubChem CID 70687033) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine
PubChem CID70687033
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine
SMILESCOc1ccc2nccc(C(c3nnnn3C(C)(C)C)N3CCOCC3)c2c1
InChIInChI=1S/C20H26N6O2/c1-20(2,3)26-19(22-23-24-26)18(25-9-11-28-12-10-25)15-7-8-21-17-6-5-14(27-4)13-16(15)17/h5-8,13,18H,9-12H2,1-4H3
InChIKeyGCOLZQGPSIYWDG-UHFFFAOYSA-N
XLogP2.41
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine (CID 70687033) is 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine is COc1ccc2nccc(C(c3nnnn3C(C)(C)C)N3CCOCC3)c2c1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine?
The InChIKey is GCOLZQGPSIYWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-20(2,3)26-19(22-23-24-26)18(25-9-11-28-12-10-25)15-7-8-21-17-6-5-14(27-4)13-16(15)17/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine?
4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine has a molecular weight of 382.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]morpholine is sourced from PubChem (CID 70687033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).