10-(6-methyl-2-oxo-1H-quinolin-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 71826172

IUPAC10-(6-methyl-2-oxo-1H-quinolin-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
SMILESCc1ccc2[nH]c(=O)c(-c3c4c[nH]n(C(C)C)c4nc4c3oc3cc(=O)ccc34)cc2c1
InChIInChI=1S/C25H20N4O3/c1-12(2)29-24-18(11-26-29)21(17-9-14-8-13(3)4-7-19(14)27-25(17)31)23-22(28-24)16-6-5-15(30)10-20(16)32-23/h4-12,26H,1-3H3,(H,27,31)
InChIKeyREEIZXXRCWIBDS-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.02
Rot. Bonds2

About 10-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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 71826172) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 10-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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 CID71826172
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name10-(6-methyl-2-oxo-1H-quinolin-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
SMILESCc1ccc2[nH]c(=O)c(-c3c4c[nH]n(C(C)C)c4nc4c3oc3cc(=O)ccc34)cc2c1
InChIInChI=1S/C25H20N4O3/c1-12(2)29-24-18(11-26-29)21(17-9-14-8-13(3)4-7-19(14)27-25(17)31)23-22(28-24)16-6-5-15(30)10-20(16)32-23/h4-12,26H,1-3H3,(H,27,31)
InChIKeyREEIZXXRCWIBDS-UHFFFAOYSA-N
XLogP5.02
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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 71826172) is 10-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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 Cc1ccc2[nH]c(=O)c(-c3c4c[nH]n(C(C)C)c4nc4c3oc3cc(=O)ccc34)cc2c1.
What is the InChIKey of 10-(6-methyl-2-oxo-1H-quinolin-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 REEIZXXRCWIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-12(2)29-24-18(11-26-29)21(17-9-14-8-13(3)4-7-19(14)27-25(17)31)23-22(28-24)16-6-5-15(30)10-20(16)32-23/h4-12,26H,1-3H3,(H,27,31).
What are the key properties of 10-(6-methyl-2-oxo-1H-quinolin-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-(6-methyl-2-oxo-1H-quinolin-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 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-methyl-2-oxo-1H-quinolin-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 71826172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).