6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane

C17H25ClN2 — CID 176678034

IUPAC6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane
SMILESC=C1Nc2ccc(Cl)cc2CC12CCN(C)CC2.CC
InChIInChI=1S/C15H19ClN2.C2H6/c1-11-15(5-7-18(2)8-6-15)10-12-9-13(16)3-4-14(12)17-11;1-2/h3-4,9,17H,1,5-8,10H2,2H3;1-2H3
InChIKeyLDNQTZZBOATQIP-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.56
Rot. Bonds

About 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane

6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane (PubChem CID 176678034) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane.

Molecular Properties

Compound Name6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane
PubChem CID176678034
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane
SMILESC=C1Nc2ccc(Cl)cc2CC12CCN(C)CC2.CC
InChIInChI=1S/C15H19ClN2.C2H6/c1-11-15(5-7-18(2)8-6-15)10-12-9-13(16)3-4-14(12)17-11;1-2/h3-4,9,17H,1,5-8,10H2,2H3;1-2H3
InChIKeyLDNQTZZBOATQIP-UHFFFAOYSA-N
XLogP4.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane?
The IUPAC name of 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane (CID 176678034) is 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane.
What is the SMILES notation for 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane?
The canonical SMILES for 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane is C=C1Nc2ccc(Cl)cc2CC12CCN(C)CC2.CC.
What is the InChIKey of 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane?
The InChIKey is LDNQTZZBOATQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2.C2H6/c1-11-15(5-7-18(2)8-6-15)10-12-9-13(16)3-4-14(12)17-11;1-2/h3-4,9,17H,1,5-8,10H2,2H3;1-2H3.
What are the key properties of 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane?
6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane has a molecular weight of 292.85 g/mol, XLogP of 4.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-methyl-2-methylidenespiro[1,4-dihydroquinoline-3,4'-piperidine];ethane is sourced from PubChem (CID 176678034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).