(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C20H16F3N3O — CID 15133402

IUPAC(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1cc(N)c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C20H16F3N3O/c1-12-9-17(24)16-11-15(6-7-18(16)25-12)26-19(27)8-5-13-3-2-4-14(10-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b8-5+
InChIKeyCQPFKMRAYQKWEI-VMPITWQZSA-N
MW371.36 g/mol
LogP4.80
Rot. Bonds3

About (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 15133402) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID15133402
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1cc(N)c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C20H16F3N3O/c1-12-9-17(24)16-11-15(6-7-18(16)25-12)26-19(27)8-5-13-3-2-4-14(10-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b8-5+
InChIKeyCQPFKMRAYQKWEI-VMPITWQZSA-N
XLogP4.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10150552
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
ethyl 4-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoate
CID 3386200
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3903026
(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 10216141
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;hydron;dichloride
CID 67107964
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
N-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2887493
N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4987366
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 15133402) is (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1cc(N)c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is CQPFKMRAYQKWEI-VMPITWQZSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-12-9-17(24)16-11-15(6-7-18(16)25-12)26-19(27)8-5-13-3-2-4-14(10-13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b8-5+.
What are the key properties of (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 371.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 15133402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).