2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide

C21H17BrN4O2 — CID 163371305

IUPAC2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide
SMILESO=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1ccc2cccnc2n1
InChIInChI=1S/C21H17BrN4O2/c22-14-4-5-15-16(10-14)21(7-8-21)12-26(20(15)28)11-18(27)24-17-6-3-13-2-1-9-23-19(13)25-17/h1-6,9-10H,7-8,11-12H2,(H,23,24,25,27)
InChIKeyQWZQPKZHQJWRRY-UHFFFAOYSA-N
MW437.30 g/mol
LogP3.52
Rot. Bonds3

About 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide

2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide (PubChem CID 163371305) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide
PubChem CID163371305
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide
SMILESO=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1ccc2cccnc2n1
InChIInChI=1S/C21H17BrN4O2/c22-14-4-5-15-16(10-14)21(7-8-21)12-26(20(15)28)11-18(27)24-17-6-3-13-2-1-9-23-19(13)25-17/h1-6,9-10H,7-8,11-12H2,(H,23,24,25,27)
InChIKeyQWZQPKZHQJWRRY-UHFFFAOYSA-N
XLogP3.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide (CID 163371305) is 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide is O=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1ccc2cccnc2n1.
What is the InChIKey of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide?
The InChIKey is QWZQPKZHQJWRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c22-14-4-5-15-16(10-14)21(7-8-21)12-26(20(15)28)11-18(27)24-17-6-3-13-2-1-9-23-19(13)25-17/h1-6,9-10H,7-8,11-12H2,(H,23,24,25,27).
What are the key properties of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide?
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide has a molecular weight of 437.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide is sourced from PubChem (CID 163371305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).