4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline

C27H30N2O3 — CID 90918575

IUPAC4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1N1CCOCC1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C27H30N2O3/c1-28(2)23-12-10-22(11-13-23)27(21-7-5-4-6-8-21)19-20-9-14-24(30-3)25(26(20)32-27)29-15-17-31-18-16-29/h4-14H,15-19H2,1-3H3
InChIKeyLBLOMWFXNMVOFD-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.48
Rot. Bonds5

About 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline

4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline (PubChem CID 90918575) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline
PubChem CID90918575
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1N1CCOCC1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C2
InChIInChI=1S/C27H30N2O3/c1-28(2)23-12-10-22(11-13-23)27(21-7-5-4-6-8-21)19-20-9-14-24(30-3)25(26(20)32-27)29-15-17-31-18-16-29/h4-14H,15-19H2,1-3H3
InChIKeyLBLOMWFXNMVOFD-UHFFFAOYSA-N
XLogP4.48
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline (CID 90918575) is 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline is COc1ccc2c(c1N1CCOCC1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C2.
What is the InChIKey of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
The InChIKey is LBLOMWFXNMVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-28(2)23-12-10-22(11-13-23)27(21-7-5-4-6-8-21)19-20-9-14-24(30-3)25(26(20)32-27)29-15-17-31-18-16-29/h4-14H,15-19H2,1-3H3.
What are the key properties of 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline?
4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline has a molecular weight of 430.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-7-morpholin-4-yl-2-phenyl-3H-1-benzofuran-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 90918575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).