6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

C21H18N4O2 — CID 3236604

IUPAC6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C21H18N4O2/c1-13-11-14-7-3-4-8-16(14)25(13)21(27)17-12-15-19(23(17)2)22-18-9-5-6-10-24(18)20(15)26/h3-10,12-13H,11H2,1-2H3
InChIKeyJULQJLWVTJZKEC-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.78
Rot. Bonds1

About 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 3236604) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

Compound Name6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
PubChem CID3236604
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C21H18N4O2/c1-13-11-14-7-3-4-8-16(14)25(13)21(27)17-12-15-19(23(17)2)22-18-9-5-6-10-24(18)20(15)26/h3-10,12-13H,11H2,1-2H3
InChIKeyJULQJLWVTJZKEC-UHFFFAOYSA-N
XLogP2.78
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one with MolForge

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Related Compounds

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CID 118043198
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N,N,1,9-tetramethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
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6-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
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1,9-Dimethyl-4-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-dihydropyrido[1,2-A]pyrrolo[2,3-D]pyrimidine-2-carboxamide
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CID 3242584

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The IUPAC name of 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 3236604) is 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
What is the SMILES notation for 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The canonical SMILES for 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is CC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C.
What is the InChIKey of 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The InChIKey is JULQJLWVTJZKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-11-14-7-3-4-8-16(14)25(13)21(27)17-12-15-19(23(17)2)22-18-9-5-6-10-24(18)20(15)26/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 358.40 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 3236604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).