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

C19H19NO6 — CID 146180911

IUPACethyl 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
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc3c(cc1CC2)OCC(O)CO3
InChIInChI=1S/C19H19NO6/c1-2-24-19(23)14-8-20-4-3-11-5-17-18(26-10-12(21)9-25-17)6-13(11)15(20)7-16(14)22/h5-8,12,21H,2-4,9-10H2,1H3
InChIKeyPKYKPUUNJWUEIG-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.38
Rot. Bonds2

About 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

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 (PubChem CID 146180911) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID146180911
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Nameethyl 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
SMILESCCOC(=O)c1cn2c(cc1=O)-c1cc3c(cc1CC2)OCC(O)CO3
InChIInChI=1S/C19H19NO6/c1-2-24-19(23)14-8-20-4-3-11-5-17-18(26-10-12(21)9-25-17)6-13(11)15(20)7-16(14)22/h5-8,12,21H,2-4,9-10H2,1H3
InChIKeyPKYKPUUNJWUEIG-UHFFFAOYSA-N
XLogP1.38
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

18-tert-butyl-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-carboxylic acid;ethyl 18-tert-butyl-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 157075504
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
ethane;ethyl 10-methoxy-9-[(3-methoxycyclobutyl)methoxy]-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;propane
CID 145449973
ethyl 1-formyl-5,6-dihydro-[1,3]benzodioxolo[5,6-g]indolizine-2-carboxylate
CID 13380419
ethyl 18-tert-butyl-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 139462232
ethyl (7R)-2,3,7-trimethyl-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylate
CID 158392748
2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251775
ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464710
ethyl 8,9-dihydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 129199068
10-(2-methoxyethyl)-2-oxo-6,7,10,11-tetrahydro-[1]benzofuro[5,6-a]quinolizine-3-carboxylic acid;propane
CID 145449975
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 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5-carboxylate
CID 46197385

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cn2c(cc1=O)-c1cc3c(cc1CC2)OCC(O)CO3.
What is the InChIKey of 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?
The InChIKey is PKYKPUUNJWUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-2-24-19(23)14-8-20-4-3-11-5-17-18(26-10-12(21)9-25-17)6-13(11)15(20)7-16(14)22/h5-8,12,21H,2-4,9-10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 357.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146180911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).