6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride

C23H26Cl2N2O — CID 135124849

IUPAC6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
SMILESCc1cc(-c2ccc3c(c2)CCC2(CCNCC2)O3)cc2cccnc12.Cl.Cl
InChIInChI=1S/C23H24N2O.2ClH/c1-16-13-20(15-19-3-2-10-25-22(16)19)17-4-5-21-18(14-17)6-7-23(26-21)8-11-24-12-9-23;;/h2-5,10,13-15,24H,6-9,11-12H2,1H3;2*1H
InChIKeyUKHYTGJGWAQJJW-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.50
Rot. Bonds1

About 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride

6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride (PubChem CID 135124849) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride.

Molecular Properties

Compound Name6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
PubChem CID135124849
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
SMILESCc1cc(-c2ccc3c(c2)CCC2(CCNCC2)O3)cc2cccnc12.Cl.Cl
InChIInChI=1S/C23H24N2O.2ClH/c1-16-13-20(15-19-3-2-10-25-22(16)19)17-4-5-21-18(14-17)6-7-23(26-21)8-11-24-12-9-23;;/h2-5,10,13-15,24H,6-9,11-12H2,1H3;2*1H
InChIKeyUKHYTGJGWAQJJW-UHFFFAOYSA-N
XLogP5.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride with MolForge

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Related Compounds

3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
CID 135125829
5-(8-methylquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine];dihydrochloride
CID 175982491
6-(7-methylpyrazolo[1,5-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride
CID 175982497
6-(8-methylquinolin-7-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbaldehyde
CID 135141595
6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 158107233
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
(6-spiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl-3-pyridinyl)methanol
CID 149160605
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125978
1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125977
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047

Frequently Asked Questions

What is the IUPAC name of 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride?
The IUPAC name of 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride (CID 135124849) is 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride.
What is the SMILES notation for 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride?
The canonical SMILES for 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride is Cc1cc(-c2ccc3c(c2)CCC2(CCNCC2)O3)cc2cccnc12.Cl.Cl.
What is the InChIKey of 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride?
The InChIKey is UKHYTGJGWAQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O.2ClH/c1-16-13-20(15-19-3-2-10-25-22(16)19)17-4-5-21-18(14-17)6-7-23(26-21)8-11-24-12-9-23;;/h2-5,10,13-15,24H,6-9,11-12H2,1H3;2*1H.
What are the key properties of 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride?
6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine];dihydrochloride is sourced from PubChem (CID 135124849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).