4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C24H27N3O3 — CID 55628491

IUPAC4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCOc1cccc2c1N(CC(=O)N1c3ccccc3NC(=O)C13CCCC3)CCC2
InChIInChI=1S/C24H27N3O3/c1-30-20-12-6-8-17-9-7-15-26(22(17)20)16-21(28)27-19-11-3-2-10-18(19)25-23(29)24(27)13-4-5-14-24/h2-3,6,8,10-12H,4-5,7,9,13-16H2,1H3,(H,25,29)
InChIKeyPPMZHWUOQCLHOV-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.75
Rot. Bonds3

About 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55628491) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55628491
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCOc1cccc2c1N(CC(=O)N1c3ccccc3NC(=O)C13CCCC3)CCC2
InChIInChI=1S/C24H27N3O3/c1-30-20-12-6-8-17-9-7-15-26(22(17)20)16-21(28)27-19-11-3-2-10-18(19)25-23(29)24(27)13-4-5-14-24/h2-3,6,8,10-12H,4-5,7,9,13-16H2,1H3,(H,25,29)
InChIKeyPPMZHWUOQCLHOV-UHFFFAOYSA-N
XLogP3.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55628491) is 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is COc1cccc2c1N(CC(=O)N1c3ccccc3NC(=O)C13CCCC3)CCC2.
What is the InChIKey of 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is PPMZHWUOQCLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-30-20-12-6-8-17-9-7-15-26(22(17)20)16-21(28)27-19-11-3-2-10-18(19)25-23(29)24(27)13-4-5-14-24/h2-3,6,8,10-12H,4-5,7,9,13-16H2,1H3,(H,25,29).
What are the key properties of 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 405.50 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55628491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).