3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide

C19H15FN2O — CID 72685075

IUPAC3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
SMILESCc1ccc2cccc(NC(=O)C=Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C19H15FN2O/c1-13-5-9-15-3-2-4-17(19(15)21-13)22-18(23)12-8-14-6-10-16(20)11-7-14/h2-12H,1H3,(H,22,23)
InChIKeyPMHNNWJVYFHEPV-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.33
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide

3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide (PubChem CID 72685075) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
PubChem CID72685075
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
SMILESCc1ccc2cccc(NC(=O)C=Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C19H15FN2O/c1-13-5-9-15-3-2-4-17(19(15)21-13)22-18(23)12-8-14-6-10-16(20)11-7-14/h2-12H,1H3,(H,22,23)
InChIKeyPMHNNWJVYFHEPV-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[(2-methylquinolin-8-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 72685101
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685102
(2-methylquinolin-8-yl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2713097
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
(E)-3-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)prop-2-enamide
CID 75408108
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685068
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide (CID 72685075) is 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide is Cc1ccc2cccc(NC(=O)C=Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide?
The InChIKey is PMHNNWJVYFHEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-13-5-9-15-3-2-4-17(19(15)21-13)22-18(23)12-8-14-6-10-16(20)11-7-14/h2-12H,1H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide?
3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide has a molecular weight of 306.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide is sourced from PubChem (CID 72685075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).