(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone

C19H19N3O3 — CID 110855295

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cccc3nccn13)CC2
InChIInChI=1S/C19H19N3O3/c1-24-16-10-13-6-8-21(12-14(13)11-17(16)25-2)19(23)15-4-3-5-18-20-7-9-22(15)18/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyXAZKOGADGDFBJX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.55
Rot. Bonds3

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone (PubChem CID 110855295) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
PubChem CID110855295
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cccc3nccn13)CC2
InChIInChI=1S/C19H19N3O3/c1-24-16-10-13-6-8-21(12-14(13)11-17(16)25-2)19(23)15-4-3-5-18-20-7-9-22(15)18/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyXAZKOGADGDFBJX-UHFFFAOYSA-N
XLogP2.55
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)-phenylmethanone
CID 780505
methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 38446595
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-quinoxalin-6-ylmethanone
CID 110690549
(3-aminopyrazin-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38209894
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 74245915
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenoxy-4-pyridinyl)methanone
CID 56829222
1,3-benzothiazol-7-yl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 156583808
N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109093879
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone (CID 110855295) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone is COc1cc2c(cc1OC)CN(C(=O)c1cccc3nccn13)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone?
The InChIKey is XAZKOGADGDFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-10-13-6-8-21(12-14(13)11-17(16)25-2)19(23)15-4-3-5-18-20-7-9-22(15)18/h3-5,7,9-11H,6,8,12H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone has a molecular weight of 337.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-imidazo[1,2-a]pyridin-5-ylmethanone is sourced from PubChem (CID 110855295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).