6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide

C23H24N2O3 — CID 139959656

IUPAC6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)C)nc(-c3ccccc3)c2c2c1OC(C)(C)C2
InChIInChI=1S/C23H24N2O3/c1-23(2)13-16-19-15(12-18(27-5)21(16)28-23)11-17(22(26)25(3)4)24-20(19)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3
InChIKeyXCKKWSXJGCXXRY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.33
Rot. Bonds3

About 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide

6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide (PubChem CID 139959656) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide
PubChem CID139959656
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide
SMILESCOc1cc2cc(C(=O)N(C)C)nc(-c3ccccc3)c2c2c1OC(C)(C)C2
InChIInChI=1S/C23H24N2O3/c1-23(2)13-16-19-15(12-18(27-5)21(16)28-23)11-17(22(26)25(3)4)24-20(19)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3
InChIKeyXCKKWSXJGCXXRY-UHFFFAOYSA-N
XLogP4.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide (CID 139959656) is 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide is COc1cc2cc(C(=O)N(C)C)nc(-c3ccccc3)c2c2c1OC(C)(C)C2.
What is the InChIKey of 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide?
The InChIKey is XCKKWSXJGCXXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2)13-16-19-15(12-18(27-5)21(16)28-23)11-17(22(26)25(3)4)24-20(19)14-9-7-6-8-10-14/h6-12H,13H2,1-5H3.
What are the key properties of 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide?
6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N,8,8-tetramethyl-1-phenyl-9H-furo[2,3-h]isoquinoline-3-carboxamide is sourced from PubChem (CID 139959656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).