1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C23H24N2O5 — CID 6496733

IUPAC1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)N(c3cccnc3)C3=C2C(=O)CCC3)cc1OC
InChIInChI=1S/C23H24N2O5/c1-28-19-12-21(30-3)20(29-2)10-15(19)16-11-22(27)25(14-6-5-9-24-13-14)17-7-4-8-18(26)23(16)17/h5-6,9-10,12-13,16H,4,7-8,11H2,1-3H3
InChIKeyAHOPYGFEYCADLZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.63
Rot. Bonds5

About 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 6496733) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID6496733
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1cc(OC)c(C2CC(=O)N(c3cccnc3)C3=C2C(=O)CCC3)cc1OC
InChIInChI=1S/C23H24N2O5/c1-28-19-12-21(30-3)20(29-2)10-15(19)16-11-22(27)25(14-6-5-9-24-13-14)17-7-4-8-18(26)23(16)17/h5-6,9-10,12-13,16H,4,7-8,11H2,1-3H3
InChIKeyAHOPYGFEYCADLZ-UHFFFAOYSA-N
XLogP3.63
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 6496733) is 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1cc(OC)c(C2CC(=O)N(c3cccnc3)C3=C2C(=O)CCC3)cc1OC.
What is the InChIKey of 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is AHOPYGFEYCADLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-28-19-12-21(30-3)20(29-2)10-15(19)16-11-22(27)25(14-6-5-9-24-13-14)17-7-4-8-18(26)23(16)17/h5-6,9-10,12-13,16H,4,7-8,11H2,1-3H3.
What are the key properties of 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 408.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 6496733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).