3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one

C17H14N2O — CID 105080957

IUPAC3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)c1cnc2ccccc2c1
InChIInChI=1S/C17H14N2O/c20-17(8-7-13-4-3-9-18-11-13)15-10-14-5-1-2-6-16(14)19-12-15/h1-6,9-12H,7-8H2
InChIKeyDFQGXJKSVLJBCW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.45
Rot. Bonds4

About 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one

3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one (PubChem CID 105080957) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
PubChem CID105080957
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)c1cnc2ccccc2c1
InChIInChI=1S/C17H14N2O/c20-17(8-7-13-4-3-9-18-11-13)15-10-14-5-1-2-6-16(14)19-12-15/h1-6,9-12H,7-8H2
InChIKeyDFQGXJKSVLJBCW-UHFFFAOYSA-N
XLogP3.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
CID 105081061
2-pyridin-4-yl-1-quinolin-3-ylethanone
CID 62551225
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 42796251
1-quinolin-3-yloctan-1-one
CID 114963108
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
2-(3,5-dichloro-4-hydroxyphenyl)-1-quinolin-3-ylethanone
CID 66716474
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
CID 174799439

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one (CID 105080957) is 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one is O=C(CCc1cccnc1)c1cnc2ccccc2c1.
What is the InChIKey of 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one?
The InChIKey is DFQGXJKSVLJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17(8-7-13-4-3-9-18-11-13)15-10-14-5-1-2-6-16(14)19-12-15/h1-6,9-12H,7-8H2.
What are the key properties of 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one?
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one is sourced from PubChem (CID 105080957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).