N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine

C23H28N6O — CID 58547883

IUPACN,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine
SMILESCN(C)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H28N6O/c1-27(2)18-9-13-28(14-10-18)22-23(25-12-11-24-22)30-19-15-29(16-19)21-8-7-17-5-3-4-6-20(17)26-21/h3-8,11-12,18-19H,9-10,13-16H2,1-2H3
InChIKeyYEBNKFQAONHXFF-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.82
Rot. Bonds5

About N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine

N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine (PubChem CID 58547883) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine
PubChem CID58547883
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine
SMILESCN(C)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H28N6O/c1-27(2)18-9-13-28(14-10-18)22-23(25-12-11-24-22)30-19-15-29(16-19)21-8-7-17-5-3-4-6-20(17)26-21/h3-8,11-12,18-19H,9-10,13-16H2,1-2H3
InChIKeyYEBNKFQAONHXFF-UHFFFAOYSA-N
XLogP2.82
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine (CID 58547883) is N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine is CN(C)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine?
The InChIKey is YEBNKFQAONHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-27(2)18-9-13-28(14-10-18)22-23(25-12-11-24-22)30-19-15-29(16-19)21-8-7-17-5-3-4-6-20(17)26-21/h3-8,11-12,18-19H,9-10,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 58547883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).