3-quinolin-4-ylpentan-2-one

C14H15NO — CID 63196425

IUPAC3-quinolin-4-ylpentan-2-one
SMILESCCC(C(C)=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15NO/c1-3-11(10(2)16)12-8-9-15-14-7-5-4-6-13(12)14/h4-9,11H,3H2,1-2H3
InChIKeyWZZIZESKUMKWCN-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.32
Rot. Bonds3

About 3-quinolin-4-ylpentan-2-one

3-quinolin-4-ylpentan-2-one (PubChem CID 63196425) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-quinolin-4-ylpentan-2-one.

Molecular Properties

Compound Name3-quinolin-4-ylpentan-2-one
PubChem CID63196425
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-quinolin-4-ylpentan-2-one
SMILESCCC(C(C)=O)c1ccnc2ccccc12
InChIInChI=1S/C14H15NO/c1-3-11(10(2)16)12-8-9-15-14-7-5-4-6-13(12)14/h4-9,11H,3H2,1-2H3
InChIKeyWZZIZESKUMKWCN-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
1-quinolin-4-ylpropane-1-sulfonic acid
CID 90989010
3-acetamido-3-quinolin-4-ylpropanoic acid
CID 63868077
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
2-quinolin-4-ylpropanoic acid
CID 127018626
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
N-(3-methylsulfanyl-1-quinolin-4-ylpropyl)acetamide
CID 162412946
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
S-(2,3-dihydroxy-3-quinolin-4-ylpropyl) ethanethioate
CID 170822161
2-quinolin-5-ylpentanoic acid
CID 83042751
CID 160608048
CID 160608048

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-4-ylpentan-2-one?
The IUPAC name of 3-quinolin-4-ylpentan-2-one (CID 63196425) is 3-quinolin-4-ylpentan-2-one.
What is the SMILES notation for 3-quinolin-4-ylpentan-2-one?
The canonical SMILES for 3-quinolin-4-ylpentan-2-one is CCC(C(C)=O)c1ccnc2ccccc12.
What is the InChIKey of 3-quinolin-4-ylpentan-2-one?
The InChIKey is WZZIZESKUMKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-11(10(2)16)12-8-9-15-14-7-5-4-6-13(12)14/h4-9,11H,3H2,1-2H3.
What are the key properties of 3-quinolin-4-ylpentan-2-one?
3-quinolin-4-ylpentan-2-one has a molecular weight of 213.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-4-ylpentan-2-one is sourced from PubChem (CID 63196425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).