6-methyl-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

C26H22N4O3 — CID 71826074

About 6-methyl-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

6-methyl-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 71826074) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 6-methyl-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 Name: 6-methyl-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: 71826074
• Molecular Formula: C26H22N4O3
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.17
• IUPAC Name: 6-methyl-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
• SMILES: Cc1c(=O)ccc2c1oc1c(-c3cc4ccccc4n(C)c3=O)c3c[nH]n(C(C)C)c3nc12
• InChI: InChI=1S/C26H22N4O3/c1-13(2)30-25-18(12-27-30)21(17-11-15-7-5-6-8-19(15)29(4)26(17)32)24-22(28-25)16-9-10-20(31)14(3)23(16)33-24/h5-13,27H,1-4H3
• InChIKey: PZMWFENYJVISGU-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 85.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-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 6-methyl-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 71826074) is 6-methyl-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 6-methyl-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 6-methyl-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 Cc1c(=O)ccc2c1oc1c(-c3cc4ccccc4n(C)c3=O)c3c[nH]n(C(C)C)c3nc12.

What is the InChIKey of 6-methyl-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 PZMWFENYJVISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-13(2)30-25-18(12-27-30)21(17-11-15-7-5-6-8-19(15)29(4)26(17)32)24-22(28-25)16-9-10-20(31)14(3)23(16)33-24/h5-13,27H,1-4H3.

What are the key properties of 6-methyl-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?

6-methyl-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 438.49 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-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 71826074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).