(3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

C25H23NO4 — CID 10453673

IUPAC(3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)c(OC)cc32)c1
InChIInChI=1S/C25H23NO4/c1-28-20-10-6-9-19(13-20)25(27)24-21-15-22(29-2)23(14-18(21)11-12-26-24)30-16-17-7-4-3-5-8-17/h3-10,13-15H,11-12,16H2,1-2H3
InChIKeySKAUHIHIADGDFR-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.51
Rot. Bonds7

About (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone

(3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 10453673) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID10453673
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)c(OC)cc32)c1
InChIInChI=1S/C25H23NO4/c1-28-20-10-6-9-19(13-20)25(27)24-21-15-22(29-2)23(14-18(21)11-12-26-24)30-16-17-7-4-3-5-8-17/h3-10,13-15H,11-12,16H2,1-2H3
InChIKeySKAUHIHIADGDFR-UHFFFAOYSA-N
XLogP4.51
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10429299
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CID 10884478
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CID 10893089
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CID 10991952
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CID 11013264
CID 11013264
CID 11035535
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CID 11036498
CID 11036498

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone (CID 10453673) is (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is COc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)c(OC)cc32)c1.
What is the InChIKey of (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is SKAUHIHIADGDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-28-20-10-6-9-19(13-20)25(27)24-21-15-22(29-2)23(14-18(21)11-12-26-24)30-16-17-7-4-3-5-8-17/h3-10,13-15H,11-12,16H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
(3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone has a molecular weight of 401.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 10453673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).