4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one

C22H24N4O2 — CID 91908657

IUPAC4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one
SMILESCc1cc2nc3n(c(=O)c2n1CC(=O)N1CCCc2ccccc21)CCCC3
InChIInChI=1S/C22H24N4O2/c1-15-13-17-21(22(28)25-11-5-4-10-19(25)23-17)26(15)14-20(27)24-12-6-8-16-7-2-3-9-18(16)24/h2-3,7,9,13H,4-6,8,10-12,14H2,1H3
InChIKeyLGULCIOZZPQMGW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.82
Rot. Bonds2

About 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one

4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one (PubChem CID 91908657) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one
PubChem CID91908657
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one
SMILESCc1cc2nc3n(c(=O)c2n1CC(=O)N1CCCc2ccccc21)CCCC3
InChIInChI=1S/C22H24N4O2/c1-15-13-17-21(22(28)25-11-5-4-10-19(25)23-17)26(15)14-20(27)24-12-6-8-16-7-2-3-9-18(16)24/h2-3,7,9,13H,4-6,8,10-12,14H2,1H3
InChIKeyLGULCIOZZPQMGW-UHFFFAOYSA-N
XLogP2.82
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one?
The IUPAC name of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one (CID 91908657) is 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one is Cc1cc2nc3n(c(=O)c2n1CC(=O)N1CCCc2ccccc21)CCCC3.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one?
The InChIKey is LGULCIOZZPQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-13-17-21(22(28)25-11-5-4-10-19(25)23-17)26(15)14-20(27)24-12-6-8-16-7-2-3-9-18(16)24/h2-3,7,9,13H,4-6,8,10-12,14H2,1H3.
What are the key properties of 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one?
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-2-one is sourced from PubChem (CID 91908657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).