(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

C24H23NO4S — CID 15944690

IUPAC(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1OC3)CC2
InChIInChI=1S/C24H23NO4S/c1-14-18-12-21(28-3)20(27-2)10-15(18)8-9-25(14)24(26)22-11-16-13-29-19-7-5-4-6-17(19)23(16)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3
InChIKeyUSRNXPXBHWOPRO-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.08
Rot. Bonds3

About (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 15944690) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID15944690
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1OC3)CC2
InChIInChI=1S/C24H23NO4S/c1-14-18-12-21(28-3)20(27-2)10-15(18)8-9-25(14)24(26)22-11-16-13-29-19-7-5-4-6-17(19)23(16)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3
InChIKeyUSRNXPXBHWOPRO-UHFFFAOYSA-N
XLogP5.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
CID 1954203
N-butan-2-yl-6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 11957264
(6-(3-(piperidin-1-yl)propoxy)-3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
CID 44412634
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
CID 666794
6,7-Dimethoxy-1-methyl-2-(2-thienylcarbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 2812727
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (benzylcarbamoyl-p-tolyl-methyl)-thiophen-2-ylmethyl-amide
CID 3201534
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [(4-methoxy-benzylcarbamoyl)-p-tolyl-methyl]-thiophen-2-ylmethyl-amide
CID 3201538
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 3241134
3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 4418319
6,7-Dimethoxy-1-methyl-2-{9-methyl-4H-thieno[3,2-C]chromene-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 6622949
ethyl 4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate
CID 9550945
2-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]-8-methyl-4H-thieno[3,2-c]chromen-4-one
CID 15945534

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 15944690) is (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3c(s1)-c1ccccc1OC3)CC2.
What is the InChIKey of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is USRNXPXBHWOPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-14-18-12-21(28-3)20(27-2)10-15(18)8-9-25(14)24(26)22-11-16-13-29-19-7-5-4-6-17(19)23(16)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3.
What are the key properties of (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 421.52 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 15944690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).