1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine

C18H24N6O — CID 70682806

IUPAC1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2nccc(C(c3nnnn3C(C)(C)C)N(C)C)c2c1
InChIInChI=1S/C18H24N6O/c1-18(2,3)24-17(20-21-22-24)16(23(4)5)13-9-10-19-15-8-7-12(25-6)11-14(13)15/h7-11,16H,1-6H3
InChIKeyLGCCUMAZYNMYQJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.64
Rot. Bonds4

About 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine

1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine (PubChem CID 70682806) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine
PubChem CID70682806
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2nccc(C(c3nnnn3C(C)(C)C)N(C)C)c2c1
InChIInChI=1S/C18H24N6O/c1-18(2,3)24-17(20-21-22-24)16(23(4)5)13-9-10-19-15-8-7-12(25-6)11-14(13)15/h7-11,16H,1-6H3
InChIKeyLGCCUMAZYNMYQJ-UHFFFAOYSA-N
XLogP2.64
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine (CID 70682806) is 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine is COc1ccc2nccc(C(c3nnnn3C(C)(C)C)N(C)C)c2c1.
What is the InChIKey of 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine?
The InChIKey is LGCCUMAZYNMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-18(2,3)24-17(20-21-22-24)16(23(4)5)13-9-10-19-15-8-7-12(25-6)11-14(13)15/h7-11,16H,1-6H3.
What are the key properties of 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine?
1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine has a molecular weight of 340.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltetrazol-5-yl)-1-(6-methoxyquinolin-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 70682806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).