(8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H19NO5 — CID 45139823

IUPAC(8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnc3c(OC)cccc23)cc(OC)c1OC
InChIInChI=1S/C20H19NO5/c1-23-15-7-5-6-13-14(8-9-21-18(13)15)19(22)12-10-16(24-2)20(26-4)17(11-12)25-3/h5-11H,1-4H3
InChIKeyYIIDMZJJKOIBPX-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.50
Rot. Bonds6

About (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 45139823) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID45139823
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccnc3c(OC)cccc23)cc(OC)c1OC
InChIInChI=1S/C20H19NO5/c1-23-15-7-5-6-13-14(8-9-21-18(13)15)19(22)12-10-16(24-2)20(26-4)17(11-12)25-3/h5-11H,1-4H3
InChIKeyYIIDMZJJKOIBPX-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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Related Compounds

1,2,3,9,10-Pentamethoxy-7H-dibenzo(de,g)quinolin-7-one
CID 284998
Papaveraldine
CID 96932
6-(3',4',5'-Trimethoxybenzoyl)quinoline
CID 45139642
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
CID 45139825
CID 45139825
Pseudocoralyne
CID 72351
1-{4-Methoxy-3-[(8-quinolinyloxy)methyl]phenyl}ethanone
CID 973526
Quinolin-8-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 806742
(E)-3-(Indol-3-yl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 9927763
[6-Methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10071452
(7-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10246680
3-Methylidene-5-phenyl-5-(quinolin-8-yloxymethyl)oxolan-2-one
CID 10314628

Frequently Asked Questions

What is the IUPAC name of (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 45139823) is (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccnc3c(OC)cccc23)cc(OC)c1OC.
What is the InChIKey of (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YIIDMZJJKOIBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-23-15-7-5-6-13-14(8-9-21-18(13)15)19(22)12-10-16(24-2)20(26-4)17(11-12)25-3/h5-11H,1-4H3.
What are the key properties of (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(8-methoxyquinolin-4-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 (8-methoxyquinolin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 45139823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).