(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone

C22H23N3O4 — CID 109169350

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccnc(NCc3ccco3)c1)CC2
InChIInChI=1S/C22H23N3O4/c1-27-19-10-15-6-8-25(14-17(15)11-20(19)28-2)22(26)16-5-7-23-21(12-16)24-13-18-4-3-9-29-18/h3-5,7,9-12H,6,8,13-14H2,1-2H3,(H,23,24)
InChIKeyNCZLHBGERSMKIW-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.50
Rot. Bonds6

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone (PubChem CID 109169350) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
PubChem CID109169350
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccnc(NCc3ccco3)c1)CC2
InChIInChI=1S/C22H23N3O4/c1-27-19-10-15-6-8-25(14-17(15)11-20(19)28-2)22(26)16-5-7-23-21(12-16)24-13-18-4-3-9-29-18/h3-5,7,9-12H,6,8,13-14H2,1-2H3,(H,23,24)
InChIKeyNCZLHBGERSMKIW-UHFFFAOYSA-N
XLogP3.50
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]methanone
CID 109167827
2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
2-(furan-2-ylmethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169326
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenoxy-4-pyridinyl)methanone
CID 56829222
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-quinoxalin-6-ylmethanone
CID 110690549
(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-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155413

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone (CID 109169350) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone is COc1cc2c(cc1OC)CN(C(=O)c1ccnc(NCc3ccco3)c1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone?
The InChIKey is NCZLHBGERSMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-10-15-6-8-25(14-17(15)11-20(19)28-2)22(26)16-5-7-23-21(12-16)24-13-18-4-3-9-29-18/h3-5,7,9-12H,6,8,13-14H2,1-2H3,(H,23,24).
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone has a molecular weight of 393.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 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)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 109169350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).