5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride

C22H24Cl2N2O — CID 175982491

IUPAC5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride
SMILESCc1c(-c2ccc3c(c2)CC2(CCNCC2)O3)ccc2cccnc12.Cl.Cl
InChIInChI=1S/C22H22N2O.2ClH/c1-15-19(6-4-16-3-2-10-24-21(15)16)17-5-7-20-18(13-17)14-22(25-20)8-11-23-12-9-22;;/h2-7,10,13,23H,8-9,11-12,14H2,1H3;2*1H
InChIKeyAEVKLZCTVWOBHP-UHFFFAOYSA-N
MW403.35 g/mol
LogP5.11
Rot. Bonds1

About 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride

5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride (PubChem CID 175982491) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride.

Molecular Properties

Compound Name5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride
PubChem CID175982491
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride
SMILESCc1c(-c2ccc3c(c2)CC2(CCNCC2)O3)ccc2cccnc12.Cl.Cl
InChIInChI=1S/C22H22N2O.2ClH/c1-15-19(6-4-16-3-2-10-24-21(15)16)17-5-7-20-18(13-17)14-22(25-20)8-11-23-12-9-22;;/h2-7,10,13,23H,8-9,11-12,14H2,1H3;2*1H
InChIKeyAEVKLZCTVWOBHP-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
CID 135141595
6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
CID 135124849
5-(8-methoxyquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxamide
CID 135124838
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
CID 175982497
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
CID 68958919
methyl 2-(1-oxospiro[4H-isochromene-3,4'-piperidine]-7-yl)pyridine-3-carboxylate
CID 175930136
6-[2-fluoro-6-(methylamino)-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 166093723
7-methylspiro[3H-pyrano[3,2-b]pyridine-2,4'-piperidine]-4-one;hydrochloride
CID 178145475
6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 158107233
3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
CID 135125829
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759

Frequently Asked Questions

What is the IUPAC name of 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride?
The IUPAC name of 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride (CID 175982491) is 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride.
What is the SMILES notation for 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride?
The canonical SMILES for 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride is Cc1c(-c2ccc3c(c2)CC2(CCNCC2)O3)ccc2cccnc12.Cl.Cl.
What is the InChIKey of 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride?
The InChIKey is AEVKLZCTVWOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O.2ClH/c1-15-19(6-4-16-3-2-10-24-21(15)16)17-5-7-20-18(13-17)14-22(25-20)8-11-23-12-9-22;;/h2-7,10,13,23H,8-9,11-12,14H2,1H3;2*1H.
What are the key properties of 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride?
5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride is sourced from PubChem (CID 175982491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).