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

C20H28N6O — CID 70697443

IUPACN-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(c1ccnc2ccc(OC)cc12)c1nnnn1C(C)(C)C
InChIInChI=1S/C20H28N6O/c1-7-25(8-2)18(19-22-23-24-26(19)20(3,4)5)15-11-12-21-17-10-9-14(27-6)13-16(15)17/h9-13,18H,7-8H2,1-6H3
InChIKeyCDYCORDKUVIVEM-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.42
Rot. Bonds6

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

N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine (PubChem CID 70697443) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine
PubChem CID70697443
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(c1ccnc2ccc(OC)cc12)c1nnnn1C(C)(C)C
InChIInChI=1S/C20H28N6O/c1-7-25(8-2)18(19-22-23-24-26(19)20(3,4)5)15-11-12-21-17-10-9-14(27-6)13-16(15)17/h9-13,18H,7-8H2,1-6H3
InChIKeyCDYCORDKUVIVEM-UHFFFAOYSA-N
XLogP3.42
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine (CID 70697443) is N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine is CCN(CC)C(c1ccnc2ccc(OC)cc12)c1nnnn1C(C)(C)C.
What is the InChIKey of N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine?
The InChIKey is CDYCORDKUVIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-7-25(8-2)18(19-22-23-24-26(19)20(3,4)5)15-11-12-21-17-10-9-14(27-6)13-16(15)17/h9-13,18H,7-8H2,1-6H3.
What are the key properties of N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine?
N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine has a molecular weight of 368.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltetrazol-5-yl)-(6-methoxyquinolin-4-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 70697443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).