[6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone

C24H25NO4 — CID 1315202

IUPAC[6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2cc(C(=O)N3CCOCC3)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C24H25NO4/c1-16-4-6-17(7-5-16)20-13-19(24(26)25-8-10-29-11-9-25)12-18-14-22(27-2)23(28-3)15-21(18)20/h4-7,12-15H,8-11H2,1-3H3
InChIKeyGZYLLHKPZDNLQS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.30
Rot. Bonds4

About [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone

[6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone (PubChem CID 1315202) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone
PubChem CID1315202
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone
SMILESCOc1cc2cc(C(=O)N3CCOCC3)cc(-c3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C24H25NO4/c1-16-4-6-17(7-5-16)20-13-19(24(26)25-8-10-29-11-9-25)12-18-14-22(27-2)23(28-3)15-21(18)20/h4-7,12-15H,8-11H2,1-3H3
InChIKeyGZYLLHKPZDNLQS-UHFFFAOYSA-N
XLogP4.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone (CID 1315202) is [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone is COc1cc2cc(C(=O)N3CCOCC3)cc(-c3ccc(C)cc3)c2cc1OC.
What is the InChIKey of [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GZYLLHKPZDNLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-4-6-17(7-5-16)20-13-19(24(26)25-8-10-29-11-9-25)12-18-14-22(27-2)23(28-3)15-21(18)20/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone?
[6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 391.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dimethoxy-4-(4-methylphenyl)naphthalen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1315202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).