(4-ethylphenyl)-quinolin-5-ylmethanone

C18H15NO — CID 78917797

IUPAC(4-ethylphenyl)-quinolin-5-ylmethanone
SMILESCCc1ccc(C(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C18H15NO/c1-2-13-8-10-14(11-9-13)18(20)16-5-3-7-17-15(16)6-4-12-19-17/h3-12H,2H2,1H3
InChIKeyNPQUFGKRMOEZHK-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.03
Rot. Bonds3

About (4-ethylphenyl)-quinolin-5-ylmethanone

(4-ethylphenyl)-quinolin-5-ylmethanone (PubChem CID 78917797) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-ethylphenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(4-ethylphenyl)-quinolin-5-ylmethanone
PubChem CID78917797
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(4-ethylphenyl)-quinolin-5-ylmethanone
SMILESCCc1ccc(C(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C18H15NO/c1-2-13-8-10-14(11-9-13)18(20)16-5-3-7-17-15(16)6-4-12-19-17/h3-12H,2H2,1H3
InChIKeyNPQUFGKRMOEZHK-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
1-quinolin-5-ylhexan-1-one
CID 115789824
ethane;5-ethylquinoline
CID 143401043
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
CID 79593276
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
2-ethoxy-1-quinolin-5-ylbutan-1-one
CID 116707471

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-quinolin-5-ylmethanone?
The IUPAC name of (4-ethylphenyl)-quinolin-5-ylmethanone (CID 78917797) is (4-ethylphenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (4-ethylphenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (4-ethylphenyl)-quinolin-5-ylmethanone is CCc1ccc(C(=O)c2cccc3ncccc23)cc1.
What is the InChIKey of (4-ethylphenyl)-quinolin-5-ylmethanone?
The InChIKey is NPQUFGKRMOEZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-2-13-8-10-14(11-9-13)18(20)16-5-3-7-17-15(16)6-4-12-19-17/h3-12H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-quinolin-5-ylmethanone?
(4-ethylphenyl)-quinolin-5-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 78917797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).