1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine

C21H28N6O2 — CID 126466431

IUPAC1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCCOc1ccc2nc(N3CCC(N(C)Cc4nonc4C)CC3)nc(C)c2c1
InChIInChI=1S/C21H28N6O2/c1-5-28-17-6-7-19-18(12-17)14(2)22-21(23-19)27-10-8-16(9-11-27)26(4)13-20-15(3)24-29-25-20/h6-7,12,16H,5,8-11,13H2,1-4H3
InChIKeyOOHUJVMRHUTHNL-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.13
Rot. Bonds6

About 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine (PubChem CID 126466431) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
PubChem CID126466431
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCCOc1ccc2nc(N3CCC(N(C)Cc4nonc4C)CC3)nc(C)c2c1
InChIInChI=1S/C21H28N6O2/c1-5-28-17-6-7-19-18(12-17)14(2)22-21(23-19)27-10-8-16(9-11-27)26(4)13-20-15(3)24-29-25-20/h6-7,12,16H,5,8-11,13H2,1-4H3
InChIKeyOOHUJVMRHUTHNL-UHFFFAOYSA-N
XLogP3.13
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine (CID 126466431) is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine is CCOc1ccc2nc(N3CCC(N(C)Cc4nonc4C)CC3)nc(C)c2c1.
What is the InChIKey of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is OOHUJVMRHUTHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-5-28-17-6-7-19-18(12-17)14(2)22-21(23-19)27-10-8-16(9-11-27)26(4)13-20-15(3)24-29-25-20/h6-7,12,16H,5,8-11,13H2,1-4H3.
What are the key properties of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 396.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 126466431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).