1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone

C15H19ClN2O — CID 82626660

IUPAC1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone
SMILESCC(=O)N1CCC2(CCNC2)c2ccc(Cl)c(C)c21
InChIInChI=1S/C15H19ClN2O/c1-10-13(16)4-3-12-14(10)18(11(2)19)8-6-15(12)5-7-17-9-15/h3-4,17H,5-9H2,1-2H3
InChIKeyYFAFSUACGLDILD-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.64
Rot. Bonds

About 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone

1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone (PubChem CID 82626660) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone
PubChem CID82626660
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone
SMILESCC(=O)N1CCC2(CCNC2)c2ccc(Cl)c(C)c21
InChIInChI=1S/C15H19ClN2O/c1-10-13(16)4-3-12-14(10)18(11(2)19)8-6-15(12)5-7-17-9-15/h3-4,17H,5-9H2,1-2H3
InChIKeyYFAFSUACGLDILD-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone?
The IUPAC name of 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone (CID 82626660) is 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone?
The canonical SMILES for 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone is CC(=O)N1CCC2(CCNC2)c2ccc(Cl)c(C)c21.
What is the InChIKey of 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone?
The InChIKey is YFAFSUACGLDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10-13(16)4-3-12-14(10)18(11(2)19)8-6-15(12)5-7-17-9-15/h3-4,17H,5-9H2,1-2H3.
What are the key properties of 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone?
1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone has a molecular weight of 278.78 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-methylspiro[2,3-dihydroquinoline-4,3'-pyrrolidine]-1-yl)ethanone is sourced from PubChem (CID 82626660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).