N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine

C19H24N6O — CID 133463397

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine
SMILESCc1nc(CN(C)c2nc3ccccc3nc2N2CCC(C)CC2)no1
InChIInChI=1S/C19H24N6O/c1-13-8-10-25(11-9-13)19-18(21-15-6-4-5-7-16(15)22-19)24(3)12-17-20-14(2)26-23-17/h4-7,13H,8-12H2,1-3H3
InChIKeyIDAPBOYAXWOXED-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine (PubChem CID 133463397) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine
PubChem CID133463397
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine
SMILESCc1nc(CN(C)c2nc3ccccc3nc2N2CCC(C)CC2)no1
InChIInChI=1S/C19H24N6O/c1-13-8-10-25(11-9-13)19-18(21-15-6-4-5-7-16(15)22-19)24(3)12-17-20-14(2)26-23-17/h4-7,13H,8-12H2,1-3H3
InChIKeyIDAPBOYAXWOXED-UHFFFAOYSA-N
XLogP3.19
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine (CID 133463397) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine is Cc1nc(CN(C)c2nc3ccccc3nc2N2CCC(C)CC2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine?
The InChIKey is IDAPBOYAXWOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-8-10-25(11-9-13)19-18(21-15-6-4-5-7-16(15)22-19)24(3)12-17-20-14(2)26-23-17/h4-7,13H,8-12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 133463397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).