2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one

C28H28N2O5 — CID 3240807

IUPAC2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(C2C(C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-33-21-11-7-19(8-12-21)26-25(28(32)29-15-17-35-18-16-29)23-5-3-4-6-24(23)27(31)30(26)20-9-13-22(34-2)14-10-20/h3-14,25-26H,15-18H2,1-2H3
InChIKeyVNGZMNIFKLYSKR-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.05
Rot. Bonds5

About 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one

2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one (PubChem CID 3240807) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one
PubChem CID3240807
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(C2C(C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H28N2O5/c1-33-21-11-7-19(8-12-21)26-25(28(32)29-15-17-35-18-16-29)23-5-3-4-6-24(23)27(31)30(26)20-9-13-22(34-2)14-10-20/h3-14,25-26H,15-18H2,1-2H3
InChIKeyVNGZMNIFKLYSKR-UHFFFAOYSA-N
XLogP4.05
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10928963
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CID 14969535
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CID 14969536
CID 14969536
CID 14969537
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CID 14969538
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CID 17964485
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CID 22064611
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CID 70683652
CID 70683652

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one (CID 3240807) is 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one is COc1ccc(C2C(C(=O)N3CCOCC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is VNGZMNIFKLYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-33-21-11-7-19(8-12-21)26-25(28(32)29-15-17-35-18-16-29)23-5-3-4-6-24(23)27(31)30(26)20-9-13-22(34-2)14-10-20/h3-14,25-26H,15-18H2,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one?
2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 472.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 3240807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).