1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine

C19H24N2 — CID 21399518

IUPAC1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine
SMILESCCCCC1=C2c3[nH]c4ccccc4c3CCN2CCC1
InChIInChI=1S/C19H24N2/c1-2-3-7-14-8-6-12-21-13-11-16-15-9-4-5-10-17(15)20-18(16)19(14)21/h4-5,9-10,20H,2-3,6-8,11-13H2,1H3
InChIKeyXDACUDIWWMMNLB-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.72
Rot. Bonds3

About 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine

1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine (PubChem CID 21399518) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine
PubChem CID21399518
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine
SMILESCCCCC1=C2c3[nH]c4ccccc4c3CCN2CCC1
InChIInChI=1S/C19H24N2/c1-2-3-7-14-8-6-12-21-13-11-16-15-9-4-5-10-17(15)20-18(16)19(14)21/h4-5,9-10,20H,2-3,6-8,11-13H2,1H3
InChIKeyXDACUDIWWMMNLB-UHFFFAOYSA-N
XLogP4.72
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
CID 70535428
1-undecyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 4010314
1-octyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135755225
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
CID 24864743
(18R)-18-methyl-19-oxa-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-1(21),2(10),4,6,8,16-hexaen-20-one
CID 102286615
(18S)-18-methyl-19-oxa-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-1(21),2(10),4,6,8,16-hexaen-20-one
CID 102341755
(12bR)-12b-butyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-4-one
CID 23874775
3,11,12,14-tetrahydroyohimban
CID 11288762
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
bis(9H-carbazole);propane
CID 90987002
2-benzyl-1-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 101495867
methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 56849963

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine?
The IUPAC name of 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine (CID 21399518) is 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine?
The canonical SMILES for 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine is CCCCC1=C2c3[nH]c4ccccc4c3CCN2CCC1.
What is the InChIKey of 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine?
The InChIKey is XDACUDIWWMMNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-3-7-14-8-6-12-21-13-11-16-15-9-4-5-10-17(15)20-18(16)19(14)21/h4-5,9-10,20H,2-3,6-8,11-13H2,1H3.
What are the key properties of 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine?
1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine has a molecular weight of 280.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 21399518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).