1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one

C15H15NO3 — CID 103543731

IUPAC1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
SMILESO=C(Cc1ccnc2ccccc12)CC1OCCO1
InChIInChI=1S/C15H15NO3/c17-12(10-15-18-7-8-19-15)9-11-5-6-16-14-4-2-1-3-13(11)14/h1-6,15H,7-10H2
InChIKeySESNNILMPYYUTN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one

1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one (PubChem CID 103543731) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
PubChem CID103543731
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
SMILESO=C(Cc1ccnc2ccccc12)CC1OCCO1
InChIInChI=1S/C15H15NO3/c17-12(10-15-18-7-8-19-15)9-11-5-6-16-14-4-2-1-3-13(11)14/h1-6,15H,7-10H2
InChIKeySESNNILMPYYUTN-UHFFFAOYSA-N
XLogP2.11
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979595
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
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
1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979776
1-(3-aminophenyl)-3-quinolin-4-ylpropan-2-one
CID 116577142
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-quinolin-4-ylethanone
CID 79960182
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
CID 115812514
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one (CID 103543731) is 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one is O=C(Cc1ccnc2ccccc12)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one?
The InChIKey is SESNNILMPYYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-12(10-15-18-7-8-19-15)9-11-5-6-16-14-4-2-1-3-13(11)14/h1-6,15H,7-10H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one?
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one is sourced from PubChem (CID 103543731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).