1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one

C26H25N3O3 — CID 68518678

IUPAC1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1ccc2c(c1)CN(C(=O)CN1C(=O)CCc3cc(-c4ccccc4)cnc31)CC2
InChIInChI=1S/C26H25N3O3/c1-32-23-9-7-19-11-12-28(16-22(19)14-23)25(31)17-29-24(30)10-8-20-13-21(15-27-26(20)29)18-5-3-2-4-6-18/h2-7,9,13-15H,8,10-12,16-17H2,1H3
InChIKeyCRPGLEVEFIRQHI-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one

1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 68518678) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID68518678
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1ccc2c(c1)CN(C(=O)CN1C(=O)CCc3cc(-c4ccccc4)cnc31)CC2
InChIInChI=1S/C26H25N3O3/c1-32-23-9-7-19-11-12-28(16-22(19)14-23)25(31)17-29-24(30)10-8-20-13-21(15-27-26(20)29)18-5-3-2-4-6-18/h2-7,9,13-15H,8,10-12,16-17H2,1H3
InChIKeyCRPGLEVEFIRQHI-UHFFFAOYSA-N
XLogP3.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one (CID 68518678) is 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one is COc1ccc2c(c1)CN(C(=O)CN1C(=O)CCc3cc(-c4ccccc4)cnc31)CC2.
What is the InChIKey of 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is CRPGLEVEFIRQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-32-23-9-7-19-11-12-28(16-22(19)14-23)25(31)17-29-24(30)10-8-20-13-21(15-27-26(20)29)18-5-3-2-4-6-18/h2-7,9,13-15H,8,10-12,16-17H2,1H3.
What are the key properties of 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one?
1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 427.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-phenyl-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 68518678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).