6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one

C19H16BrN3O3 — CID 68564261

IUPAC6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1ccc2cn(C(=O)CN3C(=O)CCc4cc(Br)cnc43)cc2c1
InChIInChI=1S/C19H16BrN3O3/c1-26-16-4-2-13-9-22(10-14(13)7-16)18(25)11-23-17(24)5-3-12-6-15(20)8-21-19(12)23/h2,4,6-10H,3,5,11H2,1H3
InChIKeyHBFUOGWMDUBVHI-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.43
Rot. Bonds3

About 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one

6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one (PubChem CID 68564261) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
PubChem CID68564261
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one
SMILESCOc1ccc2cn(C(=O)CN3C(=O)CCc4cc(Br)cnc43)cc2c1
InChIInChI=1S/C19H16BrN3O3/c1-26-16-4-2-13-9-22(10-14(13)7-16)18(25)11-23-17(24)5-3-12-6-15(20)8-21-19(12)23/h2,4,6-10H,3,5,11H2,1H3
InChIKeyHBFUOGWMDUBVHI-UHFFFAOYSA-N
XLogP3.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one (CID 68564261) is 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one is COc1ccc2cn(C(=O)CN3C(=O)CCc4cc(Br)cnc43)cc2c1.
What is the InChIKey of 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
The InChIKey is HBFUOGWMDUBVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-26-16-4-2-13-9-22(10-14(13)7-16)18(25)11-23-17(24)5-3-12-6-15(20)8-21-19(12)23/h2,4,6-10H,3,5,11H2,1H3.
What are the key properties of 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one?
6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one has a molecular weight of 414.26 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(5-methoxyisoindol-2-yl)-2-oxoethyl]-3,4-dihydro-1,8-naphthyridin-2-one is sourced from PubChem (CID 68564261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).