(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline

C12H13N3 — CID 96620560

IUPAC(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline
SMILESCc1ccc2c(c1)-n1cncc1[C@H](C)N2
InChIInChI=1S/C12H13N3/c1-8-3-4-10-11(5-8)15-7-13-6-12(15)9(2)14-10/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKeyIAEVUSHMSORCNC-VIFPVBQESA-N
MW199.26 g/mol
LogP2.67
Rot. Bonds

About (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline

(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline (PubChem CID 96620560) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline
PubChem CID96620560
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline
SMILESCc1ccc2c(c1)-n1cncc1[C@H](C)N2
InChIInChI=1S/C12H13N3/c1-8-3-4-10-11(5-8)15-7-13-6-12(15)9(2)14-10/h3-7,9,14H,1-2H3/t9-/m0/s1
InChIKeyIAEVUSHMSORCNC-VIFPVBQESA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline?
The IUPAC name of (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline (CID 96620560) is (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline.
What is the SMILES notation for (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline?
The canonical SMILES for (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline is Cc1ccc2c(c1)-n1cncc1[C@H](C)N2.
What is the InChIKey of (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline?
The InChIKey is IAEVUSHMSORCNC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3/c1-8-3-4-10-11(5-8)15-7-13-6-12(15)9(2)14-10/h3-7,9,14H,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline?
(4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline has a molecular weight of 199.26 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8-dimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 96620560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).