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

C20H20N4O3 — CID 38210690

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3ccnc3)nc1)CC2
InChIInChI=1S/C20H20N4O3/c1-26-17-9-14-5-7-23(12-16(14)10-18(17)27-2)20(25)15-3-4-19(22-11-15)24-8-6-21-13-24/h3-4,6,8-11,13H,5,7,12H2,1-2H3
InChIKeyMOUPNRKOILQUBV-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.48
Rot. Bonds4

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

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone (PubChem CID 38210690) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
PubChem CID38210690
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3ccnc3)nc1)CC2
InChIInChI=1S/C20H20N4O3/c1-26-17-9-14-5-7-23(12-16(14)10-18(17)27-2)20(25)15-3-4-19(22-11-15)24-8-6-21-13-24/h3-4,6,8-11,13H,5,7,12H2,1-2H3
InChIKeyMOUPNRKOILQUBV-UHFFFAOYSA-N
XLogP2.48
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 74245915
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520409
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 90514878
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-quinoxalin-6-ylmethanone
CID 110690549
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 39975735
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone (CID 38210690) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3ccnc3)nc1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The InChIKey is MOUPNRKOILQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-9-14-5-7-23(12-16(14)10-18(17)27-2)20(25)15-3-4-19(22-11-15)24-8-6-21-13-24/h3-4,6,8-11,13H,5,7,12H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone has a molecular weight of 364.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 38210690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).