N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine

C19H23ClN6 — CID 168937373

IUPACN-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
SMILESCC1=C(N2CCNCC2)C(NCc2cc(Cl)c3nccnc3c2)=CNC1
InChIInChI=1S/C19H23ClN6/c1-13-10-22-12-17(19(13)26-6-4-21-5-7-26)25-11-14-8-15(20)18-16(9-14)23-2-3-24-18/h2-3,8-9,12,21-22,25H,4-7,10-11H2,1H3
InChIKeyJJMZLVUSONTAIT-UHFFFAOYSA-N
MW370.89 g/mol
LogP2.00
Rot. Bonds4

About N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine

N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine (PubChem CID 168937373) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
PubChem CID168937373
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC NameN-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
SMILESCC1=C(N2CCNCC2)C(NCc2cc(Cl)c3nccnc3c2)=CNC1
InChIInChI=1S/C19H23ClN6/c1-13-10-22-12-17(19(13)26-6-4-21-5-7-26)25-11-14-8-15(20)18-16(9-14)23-2-3-24-18/h2-3,8-9,12,21-22,25H,4-7,10-11H2,1H3
InChIKeyJJMZLVUSONTAIT-UHFFFAOYSA-N
XLogP2.00
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine 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-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?
The IUPAC name of N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine (CID 168937373) is N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine.
What is the SMILES notation for N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?
The canonical SMILES for N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine is CC1=C(N2CCNCC2)C(NCc2cc(Cl)c3nccnc3c2)=CNC1.
What is the InChIKey of N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?
The InChIKey is JJMZLVUSONTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-13-10-22-12-17(19(13)26-6-4-21-5-7-26)25-11-14-8-15(20)18-16(9-14)23-2-3-24-18/h2-3,8-9,12,21-22,25H,4-7,10-11H2,1H3.
What are the key properties of N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine?
N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine has a molecular weight of 370.89 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).