(2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H19NO5 — CID 45139824

IUPAC(2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1
InChIInChI=1S/C20H19NO5/c1-23-16-10-14(11-17(24-2)20(16)26-4)19(22)13-5-7-15-12(9-13)6-8-18(21-15)25-3/h5-11H,1-4H3
InChIKeyUPCYFJWSQIEPNE-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.50
Rot. Bonds6

About (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 45139824) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID45139824
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1
InChIInChI=1S/C20H19NO5/c1-23-16-10-14(11-17(24-2)20(16)26-4)19(22)13-5-7-15-12(9-13)6-8-18(21-15)25-3/h5-11H,1-4H3
InChIKeyUPCYFJWSQIEPNE-UHFFFAOYSA-N
XLogP3.50
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 45139824) is (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2n1.
What is the InChIKey of (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UPCYFJWSQIEPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-23-16-10-14(11-17(24-2)20(16)26-4)19(22)13-5-7-15-12(9-13)6-8-18(21-15)25-3/h5-11H,1-4H3.
What are the key properties of (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 353.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyquinolin-6-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 45139824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).