1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one

C15H16N2O — CID 116555099

IUPAC1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
SMILESO=C(CNC1CC1)Cc1ccnc2ccccc12
InChIInChI=1S/C15H16N2O/c18-13(10-17-12-5-6-12)9-11-7-8-16-15-4-2-1-3-14(11)15/h1-4,7-8,12,17H,5-6,9-10H2
InChIKeyGPKIXIGEPILRFT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.10
Rot. Bonds5

About 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one

1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one (PubChem CID 116555099) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
PubChem CID116555099
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
SMILESO=C(CNC1CC1)Cc1ccnc2ccccc12
InChIInChI=1S/C15H16N2O/c18-13(10-17-12-5-6-12)9-11-7-8-16-15-4-2-1-3-14(11)15/h1-4,7-8,12,17H,5-6,9-10H2
InChIKeyGPKIXIGEPILRFT-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-quinolin-4-ylbutan-2-one
CID 15695851
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
2-(cyclopentylamino)-1-quinolin-5-ylethanone
CID 116559111
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
CID 178187525
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
CID 116559522
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979776
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one?
The IUPAC name of 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one (CID 116555099) is 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one is O=C(CNC1CC1)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one?
The InChIKey is GPKIXIGEPILRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-13(10-17-12-5-6-12)9-11-7-8-16-15-4-2-1-3-14(11)15/h1-4,7-8,12,17H,5-6,9-10H2.
What are the key properties of 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one?
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one is sourced from PubChem (CID 116555099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).