(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H21BrN2O4 — CID 112838781

IUPAC(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc(OC)c2c1CN(C(=O)c1cc(C)nc3cc(Br)ccc13)CC2O
InChIInChI=1S/C22H21BrN2O4/c1-12-8-15(14-5-4-13(23)9-17(14)24-12)22(27)25-10-16-19(28-2)6-7-20(29-3)21(16)18(26)11-25/h4-9,18,26H,10-11H2,1-3H3
InChIKeyYIMFWULDTKPYEO-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.01
Rot. Bonds3

About (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 112838781) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID112838781
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc(OC)c2c1CN(C(=O)c1cc(C)nc3cc(Br)ccc13)CC2O
InChIInChI=1S/C22H21BrN2O4/c1-12-8-15(14-5-4-13(23)9-17(14)24-12)22(27)25-10-16-19(28-2)6-7-20(29-3)21(16)18(26)11-25/h4-9,18,26H,10-11H2,1-3H3
InChIKeyYIMFWULDTKPYEO-UHFFFAOYSA-N
XLogP4.01
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110897019
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
[4-(1-aminoethyl)piperidin-1-yl]-(7-bromo-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119519468
7-bromo-4-methoxy-2-methylquinoline
CID 82581190
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86912836
2-(2-amino-6-methylpyrimidin-4-yl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 56807665
5-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyrrole-3-carbonitrile
CID 124608338
3-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119273694
4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42883609
[4-(benzimidazol-1-yl)phenyl]-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 78824493
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 86912129
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120618805

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 112838781) is (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1ccc(OC)c2c1CN(C(=O)c1cc(C)nc3cc(Br)ccc13)CC2O.
What is the InChIKey of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YIMFWULDTKPYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-12-8-15(14-5-4-13(23)9-17(14)24-12)22(27)25-10-16-19(28-2)6-7-20(29-3)21(16)18(26)11-25/h4-9,18,26H,10-11H2,1-3H3.
What are the key properties of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 457.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 112838781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).