methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate

C17H16N2O3 — CID 23641083

IUPACmethyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3[nH]c4ccccc4c3CCN2C(=O)CC1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)12-6-7-14(20)19-9-8-11-10-4-2-3-5-13(10)18-15(11)16(12)19/h2-5,18H,6-9H2,1H3
InChIKeyFABRIPZKJBUEFK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.23
Rot. Bonds1

About methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate

methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate (PubChem CID 23641083) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
PubChem CID23641083
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3[nH]c4ccccc4c3CCN2C(=O)CC1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)12-6-7-14(20)19-9-8-11-10-4-2-3-5-13(10)18-15(11)16(12)19/h2-5,18H,6-9H2,1H3
InChIKeyFABRIPZKJBUEFK-UHFFFAOYSA-N
XLogP2.23
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-ethyl-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 56849963
methyl (2S)-2-(4-fluorophenyl)-2,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 56849959
13-methoxycarbonyl-11,22-diazapentacyclo[13.7.0.04,12.05,10.016,21]docosa-1(15),2,4(12),5,7,9,13,16,18,20-decaene-2-carboxylic acid
CID 74052599
methyl (6E)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-7-carboxylate
CID 11824391
methyl 4-oxo-6,7,12,12b-tetrahydro-1H-indolo[2,3-a]quinolizine-3-carboxylate
CID 10756340
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
CID 70535428
methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
CID 71082631
(2S)-2-methoxy-1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94200995
dimethyl (1S,12bS)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-1,3-dicarboxylate
CID 14947731
(1S)-N-(2-methoxyethyl)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94676881
propan-2-yl 3-(4-chlorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 66640179
2,6-dihydro-1H-azepino[4,5-b]indole-3,5-dicarboxylic acid
CID 90862980

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate?
The IUPAC name of methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate (CID 23641083) is methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate.
What is the SMILES notation for methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate?
The canonical SMILES for methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate is COC(=O)C1=C2c3[nH]c4ccccc4c3CCN2C(=O)CC1.
What is the InChIKey of methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate?
The InChIKey is FABRIPZKJBUEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-17(21)12-6-7-14(20)19-9-8-11-10-4-2-3-5-13(10)18-15(11)16(12)19/h2-5,18H,6-9H2,1H3.
What are the key properties of methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate?
methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3,6,7,12-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylate is sourced from PubChem (CID 23641083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).