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

C24H18N4O4 — CID 110206176

IUPAC10-(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
SMILESCOc1ccc2cc(-c3c4c[nH]n(C)c4nc4c3oc3c(C)c(=O)ccc34)c(=O)[nH]c2c1
InChIInChI=1S/C24H18N4O4/c1-11-18(29)7-6-14-20-22(32-21(11)14)19(16-10-25-28(2)23(16)27-20)15-8-12-4-5-13(31-3)9-17(12)26-24(15)30/h4-10,25H,1-3H3,(H,26,30)
InChIKeyOCJTVICBSUHGFJ-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.99
Rot. Bonds2

About 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

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 (PubChem CID 110206176) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID110206176
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name10-(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
SMILESCOc1ccc2cc(-c3c4c[nH]n(C)c4nc4c3oc3c(C)c(=O)ccc34)c(=O)[nH]c2c1
InChIInChI=1S/C24H18N4O4/c1-11-18(29)7-6-14-20-22(32-21(11)14)19(16-10-25-28(2)23(16)27-20)15-8-12-4-5-13(31-3)9-17(12)26-24(15)30/h4-10,25H,1-3H3,(H,26,30)
InChIKeyOCJTVICBSUHGFJ-UHFFFAOYSA-N
XLogP3.99
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2cc(-c3c4c[nH]n(C)c4nc4c3oc3c(C)c(=O)ccc34)c(=O)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is OCJTVICBSUHGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-11-18(29)7-6-14-20-22(32-21(11)14)19(16-10-25-28(2)23(16)27-20)15-8-12-4-5-13(31-3)9-17(12)26-24(15)30/h4-10,25H,1-3H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 426.43 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110206176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).