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

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

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Related Compounds

N-[(7-chloroquinoxalin-6-yl)methyl]-4-piperazin-1-yl-1,2-dihydropyridin-5-amine;ethane
CID 168936940
4-(azetidin-3-yloxy)-N-[(8-chloroquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
CID 168937315
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
N-[(8-chloroquinoxalin-6-yl)methyl]-3-methyl-4-piperazin-1-yl-1,2-dihydropyridin-5-amine
CID 168937373
N-[(7-chloroquinoxalin-6-yl)methyl]-4-(4,7-diazaspiro[2.5]octan-4-yl)-1,2-dihydropyridin-5-amine
CID 176561509
5-(difluoromethyl)-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]pyridin-3-amine
CID 168937044
N-[(7-fluoroquinoxalin-6-yl)methyl]-4-methyl-1,2-dihydropyridin-5-amine
CID 168937307
8-(3-methylpiperazin-1-yl)quinoxaline-5-carbaldehyde
CID 167500134
N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 168937151
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561428
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
4-N-[(4-fluorophenyl)methyl]-6-[(3S)-3-methylpiperazin-1-yl]pyrimidine-2,4-diamine
CID 90808187

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).