4-(3-quinolin-6-ylphenyl)butan-2-one

C19H17NO — CID 82540933

IUPAC4-(3-quinolin-6-ylphenyl)butan-2-one
SMILESCC(=O)CCc1cccc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H17NO/c1-14(21)7-8-15-4-2-5-16(12-15)17-9-10-19-18(13-17)6-3-11-20-19/h2-6,9-13H,7-8H2,1H3
InChIKeyZVGTYKNDHXFMSO-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.42
Rot. Bonds4

About 4-(3-quinolin-6-ylphenyl)butan-2-one

4-(3-quinolin-6-ylphenyl)butan-2-one (PubChem CID 82540933) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(3-quinolin-6-ylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(3-quinolin-6-ylphenyl)butan-2-one
PubChem CID82540933
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name4-(3-quinolin-6-ylphenyl)butan-2-one
SMILESCC(=O)CCc1cccc(-c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H17NO/c1-14(21)7-8-15-4-2-5-16(12-15)17-9-10-19-18(13-17)6-3-11-20-19/h2-6,9-13H,7-8H2,1H3
InChIKeyZVGTYKNDHXFMSO-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-quinolin-6-ylphenyl)butan-2-amine
CID 82541692
6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427
6-(3-methylphenyl)quinoline
CID 4185278
4-[3-(3,5-difluorophenyl)phenyl]butan-2-one
CID 82541152
4-[3-(4-butoxyphenyl)phenyl]butan-2-one
CID 167259415
4-[3-[3-[amino(hydroxy)methyl]phenyl]phenyl]butan-2-one
CID 82541862
methyl 4-quinolin-6-ylbutanoate
CID 116997352
1-[(5-quinolin-6-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one
CID 126610605
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
3-quinolin-7-ylbenzoic acid
CID 81224892
3-quinolin-7-ylpropanamide
CID 82578510
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262

Frequently Asked Questions

What is the IUPAC name of 4-(3-quinolin-6-ylphenyl)butan-2-one?
The IUPAC name of 4-(3-quinolin-6-ylphenyl)butan-2-one (CID 82540933) is 4-(3-quinolin-6-ylphenyl)butan-2-one.
What is the SMILES notation for 4-(3-quinolin-6-ylphenyl)butan-2-one?
The canonical SMILES for 4-(3-quinolin-6-ylphenyl)butan-2-one is CC(=O)CCc1cccc(-c2ccc3ncccc3c2)c1.
What is the InChIKey of 4-(3-quinolin-6-ylphenyl)butan-2-one?
The InChIKey is ZVGTYKNDHXFMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-14(21)7-8-15-4-2-5-16(12-15)17-9-10-19-18(13-17)6-3-11-20-19/h2-6,9-13H,7-8H2,1H3.
What are the key properties of 4-(3-quinolin-6-ylphenyl)butan-2-one?
4-(3-quinolin-6-ylphenyl)butan-2-one has a molecular weight of 275.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-quinolin-6-ylphenyl)butan-2-one is sourced from PubChem (CID 82540933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).