quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone

C19H17NO4 — CID 45139642

IUPACquinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3ncccc3c2)cc(OC)c1OC
InChIInChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3
InChIKeyGSGXITQZCMSYKF-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.49
Rot. Bonds5

About quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone

quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 45139642) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namequinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone
PubChem CID45139642
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namequinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc3ncccc3c2)cc(OC)c1OC
InChIInChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3
InChIKeyGSGXITQZCMSYKF-UHFFFAOYSA-N
XLogP3.49
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone (CID 45139642) is quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccc3ncccc3c2)cc(OC)c1OC.
What is the InChIKey of quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GSGXITQZCMSYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3.
What are the key properties of quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone?
quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 323.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 45139642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).