ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate

C22H25NO5 — CID 162350248

IUPACethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1c(cc(O)c3c1CCCO3)CC2C(C)C
InChIInChI=1S/C22H25NO5/c1-4-27-22(26)15-11-23-16(12(2)3)8-13-9-19(25)21-14(6-5-7-28-21)20(13)17(23)10-18(15)24/h9-12,16,25H,4-8H2,1-3H3
InChIKeyMCEXFEXATXVBOK-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.48
Rot. Bonds3

About ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate

ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate (PubChem CID 162350248) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate
PubChem CID162350248
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Nameethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate
SMILESCCOC(=O)c1cn2c(cc1=O)-c1c(cc(O)c3c1CCCO3)CC2C(C)C
InChIInChI=1S/C22H25NO5/c1-4-27-22(26)15-11-23-16(12(2)3)8-13-9-19(25)21-14(6-5-7-28-21)20(13)17(23)10-18(15)24/h9-12,16,25H,4-8H2,1-3H3
InChIKeyMCEXFEXATXVBOK-UHFFFAOYSA-N
XLogP3.48
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate with MolForge

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Related Compounds

ethyl 10-bromo-9-hydroxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 150609901
(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515219
ethyl 2-chloro-3-methyl-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylate
CID 158593535
ethyl 10-chloro-9-(2-hydroxyethoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118284998
ethyl (6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 126538627
ethyl 10-chloro-2-oxo-9-[(3R)-oxolan-3-yl]oxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 134224031
ethyl (6R)-10-chloro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879823
10-acetyl-4-(1-cyclobutylpyrazol-4-yl)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one
CID 163809690
4-[1-(difluoromethyl)pyrazol-4-yl]-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515155
ethyl 10-chloro-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 134223825
ethyl 12-(2-cyclopropylethoxy)-4-oxo-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
CID 146515360
ethyl 10-methoxy-9-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 141480855

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate?
The IUPAC name of ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate (CID 162350248) is ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate is CCOC(=O)c1cn2c(cc1=O)-c1c(cc(O)c3c1CCCO3)CC2C(C)C.
What is the InChIKey of ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate?
The InChIKey is MCEXFEXATXVBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-4-27-22(26)15-11-23-16(12(2)3)8-13-9-19(25)21-14(6-5-7-28-21)20(13)17(23)10-18(15)24/h9-12,16,25H,4-8H2,1-3H3.
What are the key properties of ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate?
ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate has a molecular weight of 383.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate is sourced from PubChem (CID 162350248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).