2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

C24H32N6 — CID 168937199

IUPAC2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESCC(C)/C=C\C1=C(N2CCNCC2)C(NCc2ccc3nccnc3c2)=CNC1C
InChIInChI=1S/C24H32N6/c1-17(2)4-6-20-18(3)28-16-23(24(20)30-12-10-25-11-13-30)29-15-19-5-7-21-22(14-19)27-9-8-26-21/h4-9,14,16-18,25,28-29H,10-13,15H2,1-3H3/b6-4-
InChIKeyVHXICOUZKBJULI-XQRVVYSFSA-N
MW404.56 g/mol
LogP2.92
Rot. Bonds6

About 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine

2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (PubChem CID 168937199) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
PubChem CID168937199
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
SMILESCC(C)/C=C\C1=C(N2CCNCC2)C(NCc2ccc3nccnc3c2)=CNC1C
InChIInChI=1S/C24H32N6/c1-17(2)4-6-20-18(3)28-16-23(24(20)30-12-10-25-11-13-30)29-15-19-5-7-21-22(14-19)27-9-8-26-21/h4-9,14,16-18,25,28-29H,10-13,15H2,1-3H3/b6-4-
InChIKeyVHXICOUZKBJULI-XQRVVYSFSA-N
XLogP2.92
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The IUPAC name of 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine (CID 168937199) is 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The canonical SMILES for 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is CC(C)/C=C\C1=C(N2CCNCC2)C(NCc2ccc3nccnc3c2)=CNC1C.
What is the InChIKey of 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
The InChIKey is VHXICOUZKBJULI-XQRVVYSFSA-N. The full InChI is InChI=1S/C24H32N6/c1-17(2)4-6-20-18(3)28-16-23(24(20)30-12-10-25-11-13-30)29-15-19-5-7-21-22(14-19)27-9-8-26-21/h4-9,14,16-18,25,28-29H,10-13,15H2,1-3H3/b6-4-.
What are the key properties of 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine?
2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine has a molecular weight of 404.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-3-methylbut-1-enyl]-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 168937199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).