10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

C20H15N3O4 — CID 91640306

IUPAC10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCOc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c(C)c(=O)ccc23)cc1O
InChIInChI=1S/C20H15N3O4/c1-9-13(24)5-4-11-17-19(27-18(9)11)16(12-8-21-23-20(12)22-17)10-3-6-15(26-2)14(25)7-10/h3-8,25H,1-2H3,(H2,21,22,23)
InChIKeyJDCZSIYOUXDVCZ-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.84
Rot. Bonds2

About 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (PubChem CID 91640306) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.

Molecular Properties

Compound Name10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
PubChem CID91640306
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCOc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c(C)c(=O)ccc23)cc1O
InChIInChI=1S/C20H15N3O4/c1-9-13(24)5-4-11-17-19(27-18(9)11)16(12-8-21-23-20(12)22-17)10-3-6-15(26-2)14(25)7-10/h3-8,25H,1-2H3,(H2,21,22,23)
InChIKeyJDCZSIYOUXDVCZ-UHFFFAOYSA-N
XLogP3.84
TPSA104.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one with MolForge

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Related Compounds

10-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91640188
10-(3,4-dihydroxy-5-methoxyphenyl)-6-methyl-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 71826492
10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91639086
6-(6-hydroxy-5-oxo-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-10-yl)-2,3-dimethoxybenzoic acid
CID 91638654
6-methyl-10-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91639179
6-hydroxy-10-(4-propan-2-yloxyphenyl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91637362
10-(3,4-dihydroxyphenyl)-6,14-dimethyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 110206625
6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91637909
6-methyl-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91638962
10-quinolin-6-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 91640457
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-6,14-dimethyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
CID 110206176

Frequently Asked Questions

What is the IUPAC name of 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The IUPAC name of 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (CID 91640306) is 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.
What is the SMILES notation for 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The canonical SMILES for 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is COc1ccc(-c2c3c[nH][nH]c3nc3c2oc2c(C)c(=O)ccc23)cc1O.
What is the InChIKey of 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The InChIKey is JDCZSIYOUXDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-9-13(24)5-4-11-17-19(27-18(9)11)16(12-8-21-23-20(12)22-17)10-3-6-15(26-2)14(25)7-10/h3-8,25H,1-2H3,(H2,21,22,23).
What are the key properties of 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one has a molecular weight of 361.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxy-4-methoxyphenyl)-6-methyl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is sourced from PubChem (CID 91640306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).