2-butyl-3-methyl-4a,8a-dihydroquinoxaline

C13H18N2 — CID 21014290

IUPAC2-butyl-3-methyl-4a,8a-dihydroquinoxaline
SMILESCCCCC1=NC2C=CC=CC2N=C1C
InChIInChI=1S/C13H18N2/c1-3-4-7-11-10(2)14-12-8-5-6-9-13(12)15-11/h5-6,8-9,12-13H,3-4,7H2,1-2H3
InChIKeySWHVNHTZXOREHQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.96
Rot. Bonds3

About 2-butyl-3-methyl-4a,8a-dihydroquinoxaline

2-butyl-3-methyl-4a,8a-dihydroquinoxaline (PubChem CID 21014290) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-butyl-3-methyl-4a,8a-dihydroquinoxaline.

Molecular Properties

Compound Name2-butyl-3-methyl-4a,8a-dihydroquinoxaline
PubChem CID21014290
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-butyl-3-methyl-4a,8a-dihydroquinoxaline
SMILESCCCCC1=NC2C=CC=CC2N=C1C
InChIInChI=1S/C13H18N2/c1-3-4-7-11-10(2)14-12-8-5-6-9-13(12)15-11/h5-6,8-9,12-13H,3-4,7H2,1-2H3
InChIKeySWHVNHTZXOREHQ-UHFFFAOYSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2,3-dihydroquinoxaline
CID 69756146
(3E)-3-[(Z)-but-2-enylidene]-7,8-dihydro-2H-quinoxaline
CID 88547834
2-Ethenyl-2,3-dihydroquinoxaline
CID 89073663
2-Methyl-4a,8a-dihydroquinoxaline
CID 89172182
4a,10a-Dihydrophenazine
CID 89376313
N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine
CID 91049015
3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
CID 91281706
2-Ethyl-3,8a-dihydroquinoline
CID 91452614
2-Ethyl-2,3-dihydroquinoxaline
CID 123531371
2,3-Dimethyl-4a,8a-dihydroquinoxaline
CID 143628735
3-Hexyl-2-methyl-4a,8a-dihydroquinoxalin-6-amine
CID 144448699
2,8-Dimethyl-2,3-dihydroquinoxaline
CID 166773801

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methyl-4a,8a-dihydroquinoxaline?
The IUPAC name of 2-butyl-3-methyl-4a,8a-dihydroquinoxaline (CID 21014290) is 2-butyl-3-methyl-4a,8a-dihydroquinoxaline.
What is the SMILES notation for 2-butyl-3-methyl-4a,8a-dihydroquinoxaline?
The canonical SMILES for 2-butyl-3-methyl-4a,8a-dihydroquinoxaline is CCCCC1=NC2C=CC=CC2N=C1C.
What is the InChIKey of 2-butyl-3-methyl-4a,8a-dihydroquinoxaline?
The InChIKey is SWHVNHTZXOREHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-4-7-11-10(2)14-12-8-5-6-9-13(12)15-11/h5-6,8-9,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-3-methyl-4a,8a-dihydroquinoxaline?
2-butyl-3-methyl-4a,8a-dihydroquinoxaline has a molecular weight of 202.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methyl-4a,8a-dihydroquinoxaline is sourced from PubChem (CID 21014290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).