(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide

C24H18ClN3O — CID 10216141

IUPAC(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
SMILESNc1cc(-c2ccccc2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12
InChIInChI=1S/C24H18ClN3O/c25-18-8-4-5-16(13-18)9-12-24(29)27-19-10-11-22-20(14-19)21(26)15-23(28-22)17-6-2-1-3-7-17/h1-15H,(H2,26,28)(H,27,29)/b12-9+
InChIKeyHSONMZPGHWCECI-FMIVXFBMSA-N
MW399.88 g/mol
LogP5.79
Rot. Bonds4

About (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide

(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide (PubChem CID 10216141) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
PubChem CID10216141
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
SMILESNc1cc(-c2ccccc2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12
InChIInChI=1S/C24H18ClN3O/c25-18-8-4-5-16(13-18)9-12-24(29)27-19-10-11-22-20(14-19)21(26)15-23(28-22)17-6-2-1-3-7-17/h1-15H,(H2,26,28)(H,27,29)/b12-9+
InChIKeyHSONMZPGHWCECI-FMIVXFBMSA-N
XLogP5.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.79
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

3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 15133402
(E)-N-[4-amino-2-[(3E)-hexa-1,3,5-trien-3-yl]quinolin-6-yl]-3-phenylprop-2-enamide
CID 142247638
(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 10309789
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide (CID 10216141) is (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide is Nc1cc(-c2ccccc2)nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc12.
What is the InChIKey of (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide?
The InChIKey is HSONMZPGHWCECI-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H18ClN3O/c25-18-8-4-5-16(13-18)9-12-24(29)27-19-10-11-22-20(14-19)21(26)15-23(28-22)17-6-2-1-3-7-17/h1-15H,(H2,26,28)(H,27,29)/b12-9+.
What are the key properties of (E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide?
(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide has a molecular weight of 399.88 g/mol, XLogP of 5.79, 4 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-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 10216141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).