2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone

C18H23Cl2NO — CID 10688494

IUPAC2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone
SMILESCC1CC2(CCCCCC2)N(C(=O)CCl)c2ccc(Cl)cc21
InChIInChI=1S/C18H23Cl2NO/c1-13-11-18(8-4-2-3-5-9-18)21(17(22)12-19)16-7-6-14(20)10-15(13)16/h6-7,10,13H,2-5,8-9,11-12H2,1H3
InChIKeySBGCXWVGFHTNJH-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.51
Rot. Bonds1

About 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone

2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone (PubChem CID 10688494) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone
PubChem CID10688494
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC Name2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone
SMILESCC1CC2(CCCCCC2)N(C(=O)CCl)c2ccc(Cl)cc21
InChIInChI=1S/C18H23Cl2NO/c1-13-11-18(8-4-2-3-5-9-18)21(17(22)12-19)16-7-6-14(20)10-15(13)16/h6-7,10,13H,2-5,8-9,11-12H2,1H3
InChIKeySBGCXWVGFHTNJH-UHFFFAOYSA-N
XLogP5.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone (CID 10688494) is 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone is CC1CC2(CCCCCC2)N(C(=O)CCl)c2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone?
The InChIKey is SBGCXWVGFHTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO/c1-13-11-18(8-4-2-3-5-9-18)21(17(22)12-19)16-7-6-14(20)10-15(13)16/h6-7,10,13H,2-5,8-9,11-12H2,1H3.
What are the key properties of 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone?
2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone has a molecular weight of 340.29 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-chloro-4-methylspiro[3,4-dihydroquinoline-2,1'-cycloheptane]-1-yl)ethanone is sourced from PubChem (CID 10688494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).