3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one

C29H23NO — CID 122399303

IUPAC3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one
SMILESO=C(CC(Cc1ccc2ccccc2n1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C29H23NO/c31-29(23-10-2-1-3-11-23)20-26(25-15-14-21-8-4-5-12-24(21)18-25)19-27-17-16-22-9-6-7-13-28(22)30-27/h1-18,26H,19-20H2
InChIKeyFIERMSIRFKZOQY-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.99
Rot. Bonds6

About 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one

3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one (PubChem CID 122399303) has the molecular formula C29H23NO and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one
PubChem CID122399303
Molecular FormulaC29H23NO
Molecular Weight401.51 g/mol
Exact Mass401.18
IUPAC Name3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one
SMILESO=C(CC(Cc1ccc2ccccc2n1)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C29H23NO/c31-29(23-10-2-1-3-11-23)20-26(25-15-14-21-8-4-5-12-24(21)18-25)19-27-17-16-22-9-6-7-13-28(22)30-27/h1-18,26H,19-20H2
InChIKeyFIERMSIRFKZOQY-UHFFFAOYSA-N
XLogP6.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
CID 52937193
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
6-(4-iodophenyl)-2,2-dimethyl-4-naphthalen-2-yl-6-oxohexanoic acid
CID 70895690
2-[(2R)-4-methyl-2-phenylpentyl]quinoline
CID 153438470
2-(3-nitro-2-phenylpropyl)quinoline
CID 102447454
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
methyl 2-(1-naphthalen-2-yl-3-oxo-3-phenylpropyl)sulfanylacetate
CID 102294167
2-[2-(3-nitrophenyl)-3-quinolin-2-ylpropyl]quinoline
CID 102496265

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one?
The IUPAC name of 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one (CID 122399303) is 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one.
What is the SMILES notation for 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one?
The canonical SMILES for 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one is O=C(CC(Cc1ccc2ccccc2n1)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one?
The InChIKey is FIERMSIRFKZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO/c31-29(23-10-2-1-3-11-23)20-26(25-15-14-21-8-4-5-12-24(21)18-25)19-27-17-16-22-9-6-7-13-28(22)30-27/h1-18,26H,19-20H2.
What are the key properties of 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one?
3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one has a molecular weight of 401.51 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-phenyl-4-quinolin-2-ylbutan-1-one is sourced from PubChem (CID 122399303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).