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

C23H16N4O5 — CID 91637909

IUPAC6-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
SMILESCOc1ccc2cc(-c3c4c[nH][nH]c4nc4c3oc3c(O)c(=O)ccc34)c(=O)n(C)c2c1
InChIInChI=1S/C23H16N4O5/c1-27-15-8-11(31-2)4-3-10(15)7-13(23(27)30)17-14-9-24-26-22(14)25-18-12-5-6-16(28)19(29)20(12)32-21(17)18/h3-9,29H,1-2H3,(H2,24,25,26)
InChIKeyNWSQZWKNPLPVIE-UHFFFAOYSA-N
MW428.40 g/mol
LogP3.38
Rot. Bonds2

About 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

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 (PubChem CID 91637909) has the molecular formula C23H16N4O5 and a molecular weight of 428.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID91637909
Molecular FormulaC23H16N4O5
Molecular Weight428.40 g/mol
Exact Mass428.11
IUPAC Name6-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
SMILESCOc1ccc2cc(-c3c4c[nH][nH]c4nc4c3oc3c(O)c(=O)ccc34)c(=O)n(C)c2c1
InChIInChI=1S/C23H16N4O5/c1-27-15-8-11(31-2)4-3-10(15)7-13(23(27)30)17-14-9-24-26-22(14)25-18-12-5-6-16(28)19(29)20(12)32-21(17)18/h3-9,29H,1-2H3,(H2,24,25,26)
InChIKeyNWSQZWKNPLPVIE-UHFFFAOYSA-N
XLogP3.38
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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
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
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-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
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
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
3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 71964428
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
6-methoxy-1-methylindol-2-ol
CID 141043556
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2cc(-c3c4c[nH][nH]c4nc4c3oc3c(O)c(=O)ccc34)c(=O)n(C)c2c1.
What is the InChIKey of 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?
The InChIKey is NWSQZWKNPLPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O5/c1-27-15-8-11(31-2)4-3-10(15)7-13(23(27)30)17-14-9-24-26-22(14)25-18-12-5-6-16(28)19(29)20(12)32-21(17)18/h3-9,29H,1-2H3,(H2,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 428.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91637909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).