1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one

C16H22N2O — CID 134793461

IUPAC1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
SMILESCC(C)CCN1CCC12Cc1ccccc1NC2=O
InChIInChI=1S/C16H22N2O/c1-12(2)7-9-18-10-8-16(18)11-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyBIXKZPQHPPCIDK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.67
Rot. Bonds3

About 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one

1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one (PubChem CID 134793461) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one.

Molecular Properties

Compound Name1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
PubChem CID134793461
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
SMILESCC(C)CCN1CCC12Cc1ccccc1NC2=O
InChIInChI=1S/C16H22N2O/c1-12(2)7-9-18-10-8-16(18)11-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyBIXKZPQHPPCIDK-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The IUPAC name of 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one (CID 134793461) is 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one.
What is the SMILES notation for 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The canonical SMILES for 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one is CC(C)CCN1CCC12Cc1ccccc1NC2=O.
What is the InChIKey of 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
The InChIKey is BIXKZPQHPPCIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)7-9-18-10-8-16(18)11-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one?
1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbutyl)spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one is sourced from PubChem (CID 134793461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).