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

C26H22N2O4 — CID 58272759

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2nccc(Oc3ccc(N4Cc5ccccc5CC4=O)cc3)c2cc1OC
InChIInChI=1S/C26H22N2O4/c1-30-24-14-21-22(15-25(24)31-2)27-12-11-23(21)32-20-9-7-19(8-10-20)28-16-18-6-4-3-5-17(18)13-26(28)29/h3-12,14-15H,13,16H2,1-2H3
InChIKeyRBDGZDWFSGBQBS-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.13
Rot. Bonds5

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

2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one (PubChem CID 58272759) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one
PubChem CID58272759
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2nccc(Oc3ccc(N4Cc5ccccc5CC4=O)cc3)c2cc1OC
InChIInChI=1S/C26H22N2O4/c1-30-24-14-21-22(15-25(24)31-2)27-12-11-23(21)32-20-9-7-19(8-10-20)28-16-18-6-4-3-5-17(18)13-26(28)29/h3-12,14-15H,13,16H2,1-2H3
InChIKeyRBDGZDWFSGBQBS-UHFFFAOYSA-N
XLogP5.13
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 165166989
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483444
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
7-iodo-6-methoxy-4-phenoxyquinoline
CID 90048384
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine
CID 69202302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one (CID 58272759) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one is COc1cc2nccc(Oc3ccc(N4Cc5ccccc5CC4=O)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one?
The InChIKey is RBDGZDWFSGBQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-30-24-14-21-22(15-25(24)31-2)27-12-11-23(21)32-20-9-7-19(8-10-20)28-16-18-6-4-3-5-17(18)13-26(28)29/h3-12,14-15H,13,16H2,1-2H3.
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one has a molecular weight of 426.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 58272759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).