tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate

C23H28N2O5 — CID 134959081

IUPACtert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate
SMILESCOc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)C1=CC(C)(C)C(O)C(=O)N1CC3
InChIInChI=1S/C23H28N2O5/c1-22(2,3)30-21(28)25-16-11-13(29-6)7-8-14(16)15-9-10-24-17(18(15)25)12-23(4,5)19(26)20(24)27/h7-8,11-12,19,26H,9-10H2,1-6H3
InChIKeyLWTPRYCTFRMWMD-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.56
Rot. Bonds1

About tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate

tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate (PubChem CID 134959081) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate
PubChem CID134959081
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Nametert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate
SMILESCOc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)C1=CC(C)(C)C(O)C(=O)N1CC3
InChIInChI=1S/C23H28N2O5/c1-22(2,3)30-21(28)25-16-11-13(29-6)7-8-14(16)15-9-10-24-17(18(15)25)12-23(4,5)19(26)20(24)27/h7-8,11-12,19,26H,9-10H2,1-6H3
InChIKeyLWTPRYCTFRMWMD-UHFFFAOYSA-N
XLogP3.56
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate with MolForge

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Related Compounds

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ditert-butyl 7,8-dimethoxy-1,5-dioxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate
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CID 10514762
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CID 59556816
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate (CID 134959081) is tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate is COc1ccc2c3c(n(C(=O)OC(C)(C)C)c2c1)C1=CC(C)(C)C(O)C(=O)N1CC3.
What is the InChIKey of tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate?
The InChIKey is LWTPRYCTFRMWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-22(2,3)30-21(28)25-16-11-13(29-6)7-8-14(16)15-9-10-24-17(18(15)25)12-23(4,5)19(26)20(24)27/h7-8,11-12,19,26H,9-10H2,1-6H3.
What are the key properties of tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate?
tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate has a molecular weight of 412.49 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-10-methoxy-2,2-dimethyl-4-oxo-6,7-dihydro-3H-indolo[2,3-a]quinolizine-12-carboxylate is sourced from PubChem (CID 134959081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).