9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline

C18H21N3 — CID 163973682

IUPAC9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline
SMILESCc1ccc2c(c1)C1N=C3C=CC=CC3NC1N2C(C)C
InChIInChI=1S/C18H21N3/c1-11(2)21-16-9-8-12(3)10-13(16)17-18(21)20-15-7-5-4-6-14(15)19-17/h4-11,15,17-18,20H,1-3H3
InChIKeySSFOVGWUDIOENG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.13
Rot. Bonds1

About 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline

9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline (PubChem CID 163973682) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline.

Molecular Properties

Compound Name9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline
PubChem CID163973682
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline
SMILESCc1ccc2c(c1)C1N=C3C=CC=CC3NC1N2C(C)C
InChIInChI=1S/C18H21N3/c1-11(2)21-16-9-8-12(3)10-13(16)17-18(21)20-15-7-5-4-6-14(15)19-17/h4-11,15,17-18,20H,1-3H3
InChIKeySSFOVGWUDIOENG-UHFFFAOYSA-N
XLogP3.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
CID 177037156
6-methyl-4aH-carbazole
CID 91727607
3-(2,4-dimethylphenyl)-4aH-quinazoline-2,4-dione
CID 78326275
6-methyl-1-propan-2-yl-2,3-dihydroindol-3-amine
CID 83753003
1-cyclopenta-2,4-dien-1-yl-4-methyl-2-propan-2-ylbenzene
CID 168819329
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
1-(6-methyl-1H-inden-1-yl)ethanol
CID 90078898
6-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline
CID 22041393
1-(2-fluoro-4-methylphenyl)pyrrole
CID 19759552
bis[5-(dimethylsilylmethyl)-8-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
CID 162286493
2-chloro-3-methyl-1,8a-dihydroquinoxaline
CID 163808025
(4R)-6-methyl-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946711

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline?
The IUPAC name of 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline (CID 163973682) is 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline.
What is the SMILES notation for 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline?
The canonical SMILES for 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline is Cc1ccc2c(c1)C1N=C3C=CC=CC3NC1N2C(C)C.
What is the InChIKey of 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline?
The InChIKey is SSFOVGWUDIOENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11(2)21-16-9-8-12(3)10-13(16)17-18(21)20-15-7-5-4-6-14(15)19-17/h4-11,15,17-18,20H,1-3H3.
What are the key properties of 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline?
9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline has a molecular weight of 279.39 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-propan-2-yl-4a,5,5a,10b-tetrahydroindolo[2,3-b]quinoxaline is sourced from PubChem (CID 163973682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).