3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one

C25H21NO4 — CID 15945540

IUPAC3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C25H21NO4/c1-29-19-10-8-17(9-11-19)15-26-16-22(24(27)18-6-4-3-5-7-18)25(28)21-14-20(30-2)12-13-23(21)26/h3-14,16H,15H2,1-2H3
InChIKeyLSHFSRNTCGAVNF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.30
Rot. Bonds6

About 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one

3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one (PubChem CID 15945540) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one
PubChem CID15945540
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one
SMILESCOc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C25H21NO4/c1-29-19-10-8-17(9-11-19)15-26-16-22(24(27)18-6-4-3-5-7-18)25(28)21-14-20(30-2)12-13-23(21)26/h3-14,16H,15H2,1-2H3
InChIKeyLSHFSRNTCGAVNF-UHFFFAOYSA-N
XLogP4.30
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The IUPAC name of 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one (CID 15945540) is 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one is COc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1.
What is the InChIKey of 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
The InChIKey is LSHFSRNTCGAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-29-19-10-8-17(9-11-19)15-26-16-22(24(27)18-6-4-3-5-7-18)25(28)21-14-20(30-2)12-13-23(21)26/h3-14,16H,15H2,1-2H3.
What are the key properties of 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one?
3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-methoxy-1-[(4-methoxyphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 15945540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).