(4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone

C24H19NO4 — CID 10992640

IUPAC(4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone
SMILESCOc1cc2c(C(=O)c3ccc(O)cc3)nccc2cc1OCc1ccccc1
InChIInChI=1S/C24H19NO4/c1-28-21-14-20-18(13-22(21)29-15-16-5-3-2-4-6-16)11-12-25-23(20)24(27)17-7-9-19(26)10-8-17/h2-14,26H,15H2,1H3
InChIKeyWCUYLCITKRJRIP-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.76
Rot. Bonds6

About (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone

(4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone (PubChem CID 10992640) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone
PubChem CID10992640
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone
SMILESCOc1cc2c(C(=O)c3ccc(O)cc3)nccc2cc1OCc1ccccc1
InChIInChI=1S/C24H19NO4/c1-28-21-14-20-18(13-22(21)29-15-16-5-3-2-4-6-16)11-12-25-23(20)24(27)17-7-9-19(26)10-8-17/h2-14,26H,15H2,1H3
InChIKeyWCUYLCITKRJRIP-UHFFFAOYSA-N
XLogP4.76
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Papaverine
CID 4680
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Oxoglaucine
CID 97662
Liriodenine
CID 10144
1,2,3,9,10-Pentamethoxy-7H-dibenzo(de,g)quinolin-7-one
CID 284998
Papaveraldine
CID 96932
Oxonantenine
CID 3084224
5-Methoxy-7H-dibenzo(de,h)quinolin-7-one
CID 15634400
Lysicamine
CID 122691
Lanuginosine
CID 97622
Juzirine
CID 3085285

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone (CID 10992640) is (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone is COc1cc2c(C(=O)c3ccc(O)cc3)nccc2cc1OCc1ccccc1.
What is the InChIKey of (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone?
The InChIKey is WCUYLCITKRJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-28-21-14-20-18(13-22(21)29-15-16-5-3-2-4-6-16)11-12-25-23(20)24(27)17-7-9-19(26)10-8-17/h2-14,26H,15H2,1H3.
What are the key properties of (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone?
(4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone has a molecular weight of 385.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)methanone is sourced from PubChem (CID 10992640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).