(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone

C23H25NO3 — CID 22344292

IUPAC(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(C(=O)c1ccccc1)=NC(C)(C)C2
InChIInChI=1S/C23H25NO3/c1-22(2)12-15-11-17(26-5)21-16(13-23(3,4)27-21)18(15)19(24-22)20(25)14-9-7-6-8-10-14/h6-11H,12-13H2,1-5H3
InChIKeyUQVHFAVWQNIAHO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.42
Rot. Bonds3

About (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone

(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone (PubChem CID 22344292) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
PubChem CID22344292
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(C(=O)c1ccccc1)=NC(C)(C)C2
InChIInChI=1S/C23H25NO3/c1-22(2)12-15-11-17(26-5)21-16(13-23(3,4)27-21)18(15)19(24-22)20(25)14-9-7-6-8-10-14/h6-11H,12-13H2,1-5H3
InChIKeyUQVHFAVWQNIAHO-UHFFFAOYSA-N
XLogP4.42
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone?
The IUPAC name of (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone (CID 22344292) is (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone?
The canonical SMILES for (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone is COc1cc2c(c3c1OC(C)(C)C3)C(C(=O)c1ccccc1)=NC(C)(C)C2.
What is the InChIKey of (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone?
The InChIKey is UQVHFAVWQNIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-22(2)12-15-11-17(26-5)21-16(13-23(3,4)27-21)18(15)19(24-22)20(25)14-9-7-6-8-10-14/h6-11H,12-13H2,1-5H3.
What are the key properties of (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone?
(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone has a molecular weight of 363.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 22344292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).