10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane

C22H27NO5 — CID 145449975

IUPAC10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane
SMILESCCC.COCCC1Cc2cc3c(cc2O1)CCn1cc(C(=O)O)c(=O)cc1-3
InChIInChI=1S/C19H19NO5.C3H8/c1-24-5-3-13-6-12-7-14-11(8-18(12)25-13)2-4-20-10-15(19(22)23)17(21)9-16(14)20;1-3-2/h7-10,13H,2-6H2,1H3,(H,22,23);3H2,1-2H3
InChIKeyQBCIUXNYOXGPIV-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.53
Rot. Bonds4

About 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane

10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane (PubChem CID 145449975) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane.

Molecular Properties

Compound Name10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane
PubChem CID145449975
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane
SMILESCCC.COCCC1Cc2cc3c(cc2O1)CCn1cc(C(=O)O)c(=O)cc1-3
InChIInChI=1S/C19H19NO5.C3H8/c1-24-5-3-13-6-12-7-14-11(8-18(12)25-13)2-4-20-10-15(19(22)23)17(21)9-16(14)20;1-3-2/h7-10,13H,2-6H2,1H3,(H,22,23);3H2,1-2H3
InChIKeyQBCIUXNYOXGPIV-UHFFFAOYSA-N
XLogP3.53
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane with MolForge

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Related Compounds

6-methoxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylic acid
CID 146180846
2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251775
9-(3-methoxypropoxy)-2-oxo-10-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139336264
9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118279142
9-(3-methoxypropoxy)-10-(4-methylphenyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 142624576
10-(5-ethyl-1,3,4-oxadiazol-2-yl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139336255
9-(3-methoxypropoxy)-10-(2-methylpyrazol-3-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;2-methylpropane
CID 142624459
ethyl 6-hydroxy-14-oxo-4,8-dioxa-17-azatetracyclo[9.8.0.03,9.012,17]nonadeca-1,3(9),10,12,15-pentaene-15-carboxylate
CID 146180911
10-(2-fluorophenyl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 142624530
10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138692243
10-(3,6-dimethoxypyridazin-4-yl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139336092
ethane;ethyl 10-methoxy-9-[(3-methoxycyclobutyl)methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;propane
CID 145449973

Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane?
The IUPAC name of 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane (CID 145449975) is 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane.
What is the SMILES notation for 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane?
The canonical SMILES for 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane is CCC.COCCC1Cc2cc3c(cc2O1)CCn1cc(C(=O)O)c(=O)cc1-3.
What is the InChIKey of 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane?
The InChIKey is QBCIUXNYOXGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5.C3H8/c1-24-5-3-13-6-12-7-14-11(8-18(12)25-13)2-4-20-10-15(19(22)23)17(21)9-16(14)20;1-3-2/h7-10,13H,2-6H2,1H3,(H,22,23);3H2,1-2H3.
What are the key properties of 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane?
10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane has a molecular weight of 385.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane is sourced from PubChem (CID 145449975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).