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

C22H30N6 — CID 168937056

IUPAC4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
SMILESCCCc1cc(CNC2=CNCC=C2N2CCNC(C)C2)cc2nccnc12
InChIInChI=1S/C22H30N6/c1-3-4-18-11-17(12-19-22(18)26-8-7-25-19)13-27-20-14-23-6-5-21(20)28-10-9-24-16(2)15-28/h5,7-8,11-12,14,16,23-24,27H,3-4,6,9-10,13,15H2,1-2H3
InChIKeyGSDWMIOYDZXXFX-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.29
Rot. Bonds6

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

4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine (PubChem CID 168937056) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
PubChem CID168937056
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
SMILESCCCc1cc(CNC2=CNCC=C2N2CCNC(C)C2)cc2nccnc12
InChIInChI=1S/C22H30N6/c1-3-4-18-11-17(12-19-22(18)26-8-7-25-19)13-27-20-14-23-6-5-21(20)28-10-9-24-16(2)15-28/h5,7-8,11-12,14,16,23-24,27H,3-4,6,9-10,13,15H2,1-2H3
InChIKeyGSDWMIOYDZXXFX-UHFFFAOYSA-N
XLogP2.29
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine?
The IUPAC name of 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine (CID 168937056) is 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine is CCCc1cc(CNC2=CNCC=C2N2CCNC(C)C2)cc2nccnc12.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine?
The InChIKey is GSDWMIOYDZXXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-3-4-18-11-17(12-19-22(18)26-8-7-25-19)13-27-20-14-23-6-5-21(20)28-10-9-24-16(2)15-28/h5,7-8,11-12,14,16,23-24,27H,3-4,6,9-10,13,15H2,1-2H3.
What are the key properties of 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine?
4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine has a molecular weight of 378.52 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)-N-[(8-propylquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).