3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one

C16H18N2O — CID 116558652

IUPAC3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
SMILESCC(N)(C(=O)Cc1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C16H18N2O/c1-16(17,12-7-8-12)15(19)10-13-9-6-11-4-2-3-5-14(11)18-13/h2-6,9,12H,7-8,10,17H2,1H3
InChIKeyHXCDHOJJRGNMQF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.47
Rot. Bonds4

About 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one

3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one (PubChem CID 116558652) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
PubChem CID116558652
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one
SMILESCC(N)(C(=O)Cc1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C16H18N2O/c1-16(17,12-7-8-12)15(19)10-13-9-6-11-4-2-3-5-14(11)18-13/h2-6,9,12H,7-8,10,17H2,1H3
InChIKeyHXCDHOJJRGNMQF-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4,4,4-trifluoro-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116593146
3,3-dimethyl-1-quinolin-2-ylpentan-2-one
CID 55103254
5-amino-5-methyl-1-quinolin-2-ylhexan-2-one
CID 116571510
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
3,3,4,4-tetrafluoro-1-quinolin-2-ylbutan-2-one
CID 114032456
1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
CID 116584736
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-(2-bicyclo[2.2.1]heptanyl)-3-quinolin-2-ylpropan-2-one
CID 43118501
1-quinolin-2-ylpentan-2-one
CID 28935199
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
1,2-di(quinolin-2-yl)ethanone
CID 24973307

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one (CID 116558652) is 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one is CC(N)(C(=O)Cc1ccc2ccccc2n1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one?
The InChIKey is HXCDHOJJRGNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(17,12-7-8-12)15(19)10-13-9-6-11-4-2-3-5-14(11)18-13/h2-6,9,12H,7-8,10,17H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one?
3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-quinolin-2-ylbutan-2-one is sourced from PubChem (CID 116558652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).