1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one

C20H28N2O — CID 167443385

IUPAC1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one
SMILESCC(C)Cc1nc2ccc(C(=O)C(C)C)cc2nc1CC(C)C
InChIInChI=1S/C20H28N2O/c1-12(2)9-17-18(10-13(3)4)22-19-11-15(20(23)14(5)6)7-8-16(19)21-17/h7-8,11-14H,9-10H2,1-6H3
InChIKeyAJYGRIRODNMSRV-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.87
Rot. Bonds6

About 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one

1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one (PubChem CID 167443385) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one
PubChem CID167443385
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one
SMILESCC(C)Cc1nc2ccc(C(=O)C(C)C)cc2nc1CC(C)C
InChIInChI=1S/C20H28N2O/c1-12(2)9-17-18(10-13(3)4)22-19-11-15(20(23)14(5)6)7-8-16(19)21-17/h7-8,11-14H,9-10H2,1-6H3
InChIKeyAJYGRIRODNMSRV-UHFFFAOYSA-N
XLogP4.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one (CID 167443385) is 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one is CC(C)Cc1nc2ccc(C(=O)C(C)C)cc2nc1CC(C)C.
What is the InChIKey of 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one?
The InChIKey is AJYGRIRODNMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-12(2)9-17-18(10-13(3)4)22-19-11-15(20(23)14(5)6)7-8-16(19)21-17/h7-8,11-14H,9-10H2,1-6H3.
What are the key properties of 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one?
1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one has a molecular weight of 312.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-methylpropyl)quinoxalin-6-yl]-2-methylpropan-1-one is sourced from PubChem (CID 167443385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).