1-phenylpropan-1-one;quinoline

C18H17NO — CID 174570718

IUPAC1-phenylpropan-1-one;quinoline
SMILESCCC(=O)c1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-9(10)8-6-4-3-5-7-8/h1-7H;3-7H,2H2,1H3
InChIKeyXWBFMLRXTDBFGP-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.51
Rot. Bonds2

About 1-phenylpropan-1-one;quinoline

1-phenylpropan-1-one;quinoline (PubChem CID 174570718) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-phenylpropan-1-one;quinoline.

Molecular Properties

Compound Name1-phenylpropan-1-one;quinoline
PubChem CID174570718
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-phenylpropan-1-one;quinoline
SMILESCCC(=O)c1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-9(10)8-6-4-3-5-7-8/h1-7H;3-7H,2H2,1H3
InChIKeyXWBFMLRXTDBFGP-UHFFFAOYSA-N
XLogP4.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-phenylpropan-1-one;zirconium
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methane;1-phenylpropan-1-one
CID 67638055
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CID 160910097
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CID 90686502
quinoline
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1-(4-quinolin-3-ylphenyl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-1-one;quinoline?
The IUPAC name of 1-phenylpropan-1-one;quinoline (CID 174570718) is 1-phenylpropan-1-one;quinoline.
What is the SMILES notation for 1-phenylpropan-1-one;quinoline?
The canonical SMILES for 1-phenylpropan-1-one;quinoline is CCC(=O)c1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of 1-phenylpropan-1-one;quinoline?
The InChIKey is XWBFMLRXTDBFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-9(10)8-6-4-3-5-7-8/h1-7H;3-7H,2H2,1H3.
What are the key properties of 1-phenylpropan-1-one;quinoline?
1-phenylpropan-1-one;quinoline has a molecular weight of 263.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-1-one;quinoline is sourced from PubChem (CID 174570718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).