5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one

C20H15NO5 — CID 11035465

IUPAC5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one
SMILESCOc1ccc(-c2cc3c(c(=O)o2)c2cc4c(cc2n3C)OCO4)cc1
InChIInChI=1S/C20H15NO5/c1-21-14-8-18-17(24-10-25-18)7-13(14)19-15(21)9-16(26-20(19)22)11-3-5-12(23-2)6-4-11/h3-9H,10H2,1-2H3
InChIKeyUMSBFGOHODZFMD-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.69
Rot. Bonds2

About 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one

5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one (PubChem CID 11035465) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one
PubChem CID11035465
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one
SMILESCOc1ccc(-c2cc3c(c(=O)o2)c2cc4c(cc2n3C)OCO4)cc1
InChIInChI=1S/C20H15NO5/c1-21-14-8-18-17(24-10-25-18)7-13(14)19-15(21)9-16(26-20(19)22)11-3-5-12(23-2)6-4-11/h3-9H,10H2,1-2H3
InChIKeyUMSBFGOHODZFMD-UHFFFAOYSA-N
XLogP3.69
TPSA62.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one with MolForge

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Related Compounds

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CID 71242608
5-(4-methoxyphenyl)-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
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18-methoxy-5,7,14-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one
CID 135196704
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
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2-methoxy-13-(4-methoxyphenyl)-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-1-one
CID 102238774
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
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CID 24818813
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CID 11087308
6,20-dimethoxy-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 162453579
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
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3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]pyrano[4,3-c]pyran-1,5-dione;3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]-6H-pyrano[4,3-c]pyridine-1,5-dione
CID 158864633
methyl 6-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one (CID 11035465) is 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one is COc1ccc(-c2cc3c(c(=O)o2)c2cc4c(cc2n3C)OCO4)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one?
The InChIKey is UMSBFGOHODZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c1-21-14-8-18-17(24-10-25-18)7-13(14)19-15(21)9-16(26-20(19)22)11-3-5-12(23-2)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one?
5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one has a molecular weight of 349.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-8-methyl-4,12,14-trioxa-8-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),5,9,11(15)-pentaen-3-one is sourced from PubChem (CID 11035465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).