1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one

C29H24N2O4 — CID 118987435

IUPAC1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(Cc5ccccc5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-15-14-26(24)35-22-12-10-21(11-13-22)23-9-6-16-31(29(23)32)19-20-7-4-3-5-8-20/h3-18H,19H2,1-2H3
InChIKeyLFNWXULEFGAMOY-UHFFFAOYSA-N
MW464.52 g/mol
LogP5.92
Rot. Bonds7

About 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one

1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one (PubChem CID 118987435) has the molecular formula C29H24N2O4 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one
PubChem CID118987435
Molecular FormulaC29H24N2O4
Molecular Weight464.52 g/mol
Exact Mass464.17
IUPAC Name1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one
SMILESCOc1cc2nccc(Oc3ccc(-c4cccn(Cc5ccccc5)c4=O)cc3)c2cc1OC
InChIInChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-15-14-26(24)35-22-12-10-21(11-13-22)23-9-6-16-31(29(23)32)19-20-7-4-3-5-8-20/h3-18H,19H2,1-2H3
InChIKeyLFNWXULEFGAMOY-UHFFFAOYSA-N
XLogP5.92
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one?
The IUPAC name of 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one (CID 118987435) is 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one is COc1cc2nccc(Oc3ccc(-c4cccn(Cc5ccccc5)c4=O)cc3)c2cc1OC.
What is the InChIKey of 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one?
The InChIKey is LFNWXULEFGAMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-33-27-17-24-25(18-28(27)34-2)30-15-14-26(24)35-22-12-10-21(11-13-22)23-9-6-16-31(29(23)32)19-20-7-4-3-5-8-20/h3-18H,19H2,1-2H3.
What are the key properties of 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one?
1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one has a molecular weight of 464.52 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridin-2-one is sourced from PubChem (CID 118987435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).