3-hydroxy-14-methyl-10-(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

C23H16N4O4 — CID 122170170

IUPAC3-hydroxy-14-methyl-10-(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
SMILESCn1[nH]cc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(=O)cc(O)c4c3nc21
InChIInChI=1S/C23H16N4O4/c1-26-15-6-4-3-5-11(15)7-13(23(26)30)18-14-10-24-27(2)22(14)25-20-19-16(29)8-12(28)9-17(19)31-21(18)20/h3-10,24,29H,1-2H3
InChIKeyBOALKMMYWMHCSF-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.39
Rot. Bonds1

About 3-hydroxy-14-methyl-10-(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

3-hydroxy-14-methyl-10-(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 122170170) has the molecular formula C23H16N4O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-hydroxy-14-methyl-10-(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 Name3-hydroxy-14-methyl-10-(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 CID122170170
Molecular FormulaC23H16N4O4
Molecular Weight412.41 g/mol
Exact Mass412.12
IUPAC Name3-hydroxy-14-methyl-10-(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
SMILESCn1[nH]cc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(=O)cc(O)c4c3nc21
InChIInChI=1S/C23H16N4O4/c1-26-15-6-4-3-5-11(15)7-13(23(26)30)18-14-10-24-27(2)22(14)25-20-19-16(29)8-12(28)9-17(19)31-21(18)20/h3-10,24,29H,1-2H3
InChIKeyBOALKMMYWMHCSF-UHFFFAOYSA-N
XLogP3.39
TPSA106.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-14-methyl-10-(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-14-methyl-10-(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 3-hydroxy-14-methyl-10-(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 122170170) is 3-hydroxy-14-methyl-10-(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 3-hydroxy-14-methyl-10-(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 3-hydroxy-14-methyl-10-(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 Cn1[nH]cc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(=O)cc(O)c4c3nc21.
What is the InChIKey of 3-hydroxy-14-methyl-10-(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 BOALKMMYWMHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4/c1-26-15-6-4-3-5-11(15)7-13(23(26)30)18-14-10-24-27(2)22(14)25-20-19-16(29)8-12(28)9-17(19)31-21(18)20/h3-10,24,29H,1-2H3.
What are the key properties of 3-hydroxy-14-methyl-10-(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?
3-hydroxy-14-methyl-10-(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 412.41 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-14-methyl-10-(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 122170170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).