N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline

C24H23N5 — CID 58546915

IUPACN,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
SMILESCN(C)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H23N5/c1-28(2)20-10-7-18(8-11-20)23-24(26-14-13-25-23)19-15-29(16-19)22-12-9-17-5-3-4-6-21(17)27-22/h3-14,19H,15-16H2,1-2H3
InChIKeyKYUQZGFTODRRPW-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.36
Rot. Bonds4

About N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline

N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline (PubChem CID 58546915) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
PubChem CID58546915
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC NameN,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline
SMILESCN(C)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C24H23N5/c1-28(2)20-10-7-18(8-11-20)23-24(26-14-13-25-23)19-15-29(16-19)22-12-9-17-5-3-4-6-21(17)27-22/h3-14,19H,15-16H2,1-2H3
InChIKeyKYUQZGFTODRRPW-UHFFFAOYSA-N
XLogP4.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline (CID 58546915) is N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline is CN(C)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
The InChIKey is KYUQZGFTODRRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-28(2)20-10-7-18(8-11-20)23-24(26-14-13-25-23)19-15-29(16-19)22-12-9-17-5-3-4-6-21(17)27-22/h3-14,19H,15-16H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline?
N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline has a molecular weight of 381.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]aniline is sourced from PubChem (CID 58546915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).