17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione

C26H32N4O5 — CID 146045348

IUPAC17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
SMILESCc1ccc2c(c1)C(=O)NCCN(C(=O)c1[nH]c3c(c1C)C(=O)CCC3)CCCC(=O)NCCO2
InChIInChI=1S/C26H32N4O5/c1-16-8-9-21-18(15-16)25(33)28-10-13-30(12-4-7-22(32)27-11-14-35-21)26(34)24-17(2)23-19(29-24)5-3-6-20(23)31/h8-9,15,29H,3-7,10-14H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyNFELPKWVBYTXGZ-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.31
Rot. Bonds1

About 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione

17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione (PubChem CID 146045348) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione.

Molecular Properties

Compound Name17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
PubChem CID146045348
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione
SMILESCc1ccc2c(c1)C(=O)NCCN(C(=O)c1[nH]c3c(c1C)C(=O)CCC3)CCCC(=O)NCCO2
InChIInChI=1S/C26H32N4O5/c1-16-8-9-21-18(15-16)25(33)28-10-13-30(12-4-7-22(32)27-11-14-35-21)26(34)24-17(2)23-19(29-24)5-3-6-20(23)31/h8-9,15,29H,3-7,10-14H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyNFELPKWVBYTXGZ-UHFFFAOYSA-N
XLogP2.31
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
The IUPAC name of 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione (CID 146045348) is 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione.
What is the SMILES notation for 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
The canonical SMILES for 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione is Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1[nH]c3c(c1C)C(=O)CCC3)CCCC(=O)NCCO2.
What is the InChIKey of 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
The InChIKey is NFELPKWVBYTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-16-8-9-21-18(15-16)25(33)28-10-13-30(12-4-7-22(32)27-11-14-35-21)26(34)24-17(2)23-19(29-24)5-3-6-20(23)31/h8-9,15,29H,3-7,10-14H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione?
17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione has a molecular weight of 480.57 g/mol, XLogP of 2.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-10-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2-oxa-5,10,13-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6,14-dione is sourced from PubChem (CID 146045348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).