(E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one

C18H14N2O — CID 166208877

IUPAC(E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCc1cc(/C=C/C(=O)c2ccncc2)cc2cccnc12
InChIInChI=1S/C18H14N2O/c1-13-11-14(12-16-3-2-8-20-18(13)16)4-5-17(21)15-6-9-19-10-7-15/h2-12H,1H3/b5-4+
InChIKeyMTXAYEYENXHJLF-SNAWJCMRSA-N
MW274.32 g/mol
LogP3.83
Rot. Bonds3

About (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one

(E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 166208877) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one
PubChem CID166208877
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one
SMILESCc1cc(/C=C/C(=O)c2ccncc2)cc2cccnc12
InChIInChI=1S/C18H14N2O/c1-13-11-14(12-16-3-2-8-20-18(13)16)4-5-17(21)15-6-9-19-10-7-15/h2-12H,1H3/b5-4+
InChIKeyMTXAYEYENXHJLF-SNAWJCMRSA-N
XLogP3.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
CID 13382828
(E)-3-(4-hydroxy-2,6-dimethylphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 44725763
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
(E)-1-(4-methylsulfanylphenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353447
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 82639722
(E)-N-hydroxy-3-[4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11659345
methyl 4-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]benzoate
CID 10038604
1-pyridin-4-ylbut-2-en-1-one
CID 86070863
(E)-1-(3-chlorophenyl)-3-quinolin-6-ylprop-2-en-1-one
CID 55353592
(E)-1-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 11777637
3-(1H-indol-6-yl)-1-pyridin-4-ylprop-2-en-1-one
CID 71379855

Frequently Asked Questions

What is the IUPAC name of (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one (CID 166208877) is (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one is Cc1cc(/C=C/C(=O)c2ccncc2)cc2cccnc12.
What is the InChIKey of (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is MTXAYEYENXHJLF-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-11-14(12-16-3-2-8-20-18(13)16)4-5-17(21)15-6-9-19-10-7-15/h2-12H,1H3/b5-4+.
What are the key properties of (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 274.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(8-methylquinolin-6-yl)-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 166208877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).