10-(1-methyl-2-oxoquinolin-3-yl)-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

C25H20N4O3 — CID 71826540

IUPAC10-(1-methyl-2-oxoquinolin-3-yl)-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
SMILESCC(C)n1[nH]cc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C25H20N4O3/c1-13(2)29-24-18(12-26-29)21(17-10-14-6-4-5-7-19(14)28(3)25(17)31)23-22(27-24)16-9-8-15(30)11-20(16)32-23/h4-13,26H,1-3H3
InChIKeyJVANEJOYVBSSDP-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.72
Rot. Bonds2

About 10-(1-methyl-2-oxoquinolin-3-yl)-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

10-(1-methyl-2-oxoquinolin-3-yl)-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 (PubChem CID 71826540) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 10-(1-methyl-2-oxoquinolin-3-yl)-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.

Molecular Properties

Compound Name10-(1-methyl-2-oxoquinolin-3-yl)-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
PubChem CID71826540
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name10-(1-methyl-2-oxoquinolin-3-yl)-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
SMILESCC(C)n1[nH]cc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C25H20N4O3/c1-13(2)29-24-18(12-26-29)21(17-10-14-6-4-5-7-19(14)28(3)25(17)31)23-22(27-24)16-9-8-15(30)11-20(16)32-23/h4-13,26H,1-3H3
InChIKeyJVANEJOYVBSSDP-UHFFFAOYSA-N
XLogP4.72
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-(1-methyl-2-oxoquinolin-3-yl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(1-methyl-2-oxoquinolin-3-yl)-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?
The IUPAC name of 10-(1-methyl-2-oxoquinolin-3-yl)-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 71826540) is 10-(1-methyl-2-oxoquinolin-3-yl)-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.
What is the SMILES notation for 10-(1-methyl-2-oxoquinolin-3-yl)-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?
The canonical SMILES for 10-(1-methyl-2-oxoquinolin-3-yl)-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 is CC(C)n1[nH]cc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(=O)ccc4c3nc21.
What is the InChIKey of 10-(1-methyl-2-oxoquinolin-3-yl)-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?
The InChIKey is JVANEJOYVBSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-13(2)29-24-18(12-26-29)21(17-10-14-6-4-5-7-19(14)28(3)25(17)31)23-22(27-24)16-9-8-15(30)11-20(16)32-23/h4-13,26H,1-3H3.
What are the key properties of 10-(1-methyl-2-oxoquinolin-3-yl)-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?
10-(1-methyl-2-oxoquinolin-3-yl)-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 has a molecular weight of 424.46 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-methyl-2-oxoquinolin-3-yl)-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 is sourced from PubChem (CID 71826540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).