1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one

C16H18N2O — CID 116591404

IUPAC1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
SMILESNC1(CC(=O)Cc2ccc3ccccc3n2)CCC1
InChIInChI=1S/C16H18N2O/c17-16(8-3-9-16)11-14(19)10-13-7-6-12-4-1-2-5-15(12)18-13/h1-2,4-7H,3,8-11,17H2
InChIKeyWJMOGMOKONIGGC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.62
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one

1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one (PubChem CID 116591404) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
PubChem CID116591404
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
SMILESNC1(CC(=O)Cc2ccc3ccccc3n2)CCC1
InChIInChI=1S/C16H18N2O/c17-16(8-3-9-16)11-14(19)10-13-7-6-12-4-1-2-5-15(12)18-13/h1-2,4-7H,3,8-11,17H2
InChIKeyWJMOGMOKONIGGC-UHFFFAOYSA-N
XLogP2.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone
CID 116604768
1-(3-aminooxolan-3-yl)-2-quinolin-2-ylethanone
CID 116579737
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
1-quinolin-2-ylpentan-2-one
CID 28935199
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
8-amino-1-quinolin-2-yloctan-2-one
CID 116551634
1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one
CID 43118501
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
1-(1-aminocyclopentyl)-3-(1-ethylbenzimidazol-2-yl)propan-2-one
CID 116578839
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one (CID 116591404) is 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one is NC1(CC(=O)Cc2ccc3ccccc3n2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one?
The InChIKey is WJMOGMOKONIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-16(8-3-9-16)11-14(19)10-13-7-6-12-4-1-2-5-15(12)18-13/h1-2,4-7H,3,8-11,17H2.
What are the key properties of 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one?
1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one is sourced from PubChem (CID 116591404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).