(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone

C23H26N2O3 — CID 71755167

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccc3ccn(C(C)C)c3c1)CC2
InChIInChI=1S/C23H26N2O3/c1-15(2)25-10-8-16-5-6-18(11-20(16)25)23(26)24-9-7-17-12-21(27-3)22(28-4)13-19(17)14-24/h5-6,8,10-13,15H,7,9,14H2,1-4H3
InChIKeyDVANDTFIUJGFAR-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.44
Rot. Bonds4

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone (PubChem CID 71755167) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone
PubChem CID71755167
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccc3ccn(C(C)C)c3c1)CC2
InChIInChI=1S/C23H26N2O3/c1-15(2)25-10-8-16-5-6-18(11-20(16)25)23(26)24-9-7-17-12-21(27-3)22(28-4)13-19(17)14-24/h5-6,8,10-13,15H,7,9,14H2,1-4H3
InChIKeyDVANDTFIUJGFAR-UHFFFAOYSA-N
XLogP4.44
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone (CID 71755167) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1ccc3ccn(C(C)C)c3c1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone?
The InChIKey is DVANDTFIUJGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(2)25-10-8-16-5-6-18(11-20(16)25)23(26)24-9-7-17-12-21(27-3)22(28-4)13-19(17)14-24/h5-6,8,10-13,15H,7,9,14H2,1-4H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone has a molecular weight of 378.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-propan-2-ylindol-6-yl)methanone is sourced from PubChem (CID 71755167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).