3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide

C19H14Cl2N2O — CID 54061101

IUPAC3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)C=Cc1c(Cl)ccc2cc(Cl)cnc12)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O/c1-23(15-5-3-2-4-6-15)18(24)10-8-16-17(21)9-7-13-11-14(20)12-22-19(13)16/h2-12H,1H3
InChIKeyLZTHWISKDHIRRZ-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.22
Rot. Bonds3

About 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide

3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide (PubChem CID 54061101) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide
PubChem CID54061101
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)C=Cc1c(Cl)ccc2cc(Cl)cnc12)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O/c1-23(15-5-3-2-4-6-15)18(24)10-8-16-17(21)9-7-13-11-14(20)12-22-19(13)16/h2-12H,1H3
InChIKeyLZTHWISKDHIRRZ-UHFFFAOYSA-N
XLogP5.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3,7-dichloroquinolin-8-yl)prop-2-enoate
CID 86250782
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
(3,7-dichloroquinolin-8-yl) hydrogen carbonate
CID 23205730
3,7-dichloroquinoline-8-carbonyl chloride
CID 13090840
(E)-4-(4-chloro-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177102
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 36676334
5-chloro-N-methyl-2-methylsulfonyl-N-phenylpyrimidine-4-carboxamide
CID 2989871
(E)-N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-quinoxalin-2-ylprop-2-enamide
CID 26622306
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
3,7-dichloro-N-ethoxyquinoline-8-carboxamide
CID 15595572
(2S)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 7624522

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide?
The IUPAC name of 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide (CID 54061101) is 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide?
The canonical SMILES for 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide is CN(C(=O)C=Cc1c(Cl)ccc2cc(Cl)cnc12)c1ccccc1.
What is the InChIKey of 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide?
The InChIKey is LZTHWISKDHIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c1-23(15-5-3-2-4-6-15)18(24)10-8-16-17(21)9-7-13-11-14(20)12-22-19(13)16/h2-12H,1H3.
What are the key properties of 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide?
3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide has a molecular weight of 357.24 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dichloroquinolin-8-yl)-N-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 54061101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).