10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one

C21H17N3O2 — CID 10246829

IUPAC10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
SMILESCc1c[nH]c2c1C13CC1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O
InChIInChI=1S/C21H17N3O2/c1-11-9-22-19-16(25)7-17-21(18(11)19)8-13(21)10-24(17)20(26)15-6-12-4-2-3-5-14(12)23-15/h2-7,9,13,22-23H,8,10H2,1H3
InChIKeyXSIHIAJHMICCIT-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.30
Rot. Bonds1

About 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one

10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one (PubChem CID 10246829) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one.

Molecular Properties

Compound Name10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
PubChem CID10246829
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
SMILESCc1c[nH]c2c1C13CC1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O
InChIInChI=1S/C21H17N3O2/c1-11-9-22-19-16(25)7-17-21(18(11)19)8-13(21)10-24(17)20(26)15-6-12-4-2-3-5-14(12)23-15/h2-7,9,13,22-23H,8,10H2,1H3
InChIKeyXSIHIAJHMICCIT-UHFFFAOYSA-N
XLogP3.30
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one?
The IUPAC name of 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one (CID 10246829) is 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one.
What is the SMILES notation for 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one?
The canonical SMILES for 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one is Cc1c[nH]c2c1C13CC1CN(C(=O)c1cc4ccccc4[nH]1)C3=CC2=O.
What is the InChIKey of 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one?
The InChIKey is XSIHIAJHMICCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-11-9-22-19-16(25)7-17-21(18(11)19)8-13(21)10-24(17)20(26)15-6-12-4-2-3-5-14(12)23-15/h2-7,9,13,22-23H,8,10H2,1H3.
What are the key properties of 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one?
10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one has a molecular weight of 343.39 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one is sourced from PubChem (CID 10246829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).