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

C13H11ClN2O — CID 139018848

IUPACN-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc2c(Cl)c(C)cnc12
InChIInChI=1S/C13H11ClN2O/c1-3-11(17)16-10-6-4-5-9-12(14)8(2)7-15-13(9)10/h3-7H,1H2,2H3,(H,16,17)
InChIKeyYGDZXLHFWWFZGR-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.32
Rot. Bonds2

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

N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide (PubChem CID 139018848) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide
PubChem CID139018848
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc2c(Cl)c(C)cnc12
InChIInChI=1S/C13H11ClN2O/c1-3-11(17)16-10-6-4-5-9-12(14)8(2)7-15-13(9)10/h3-7H,1H2,2H3,(H,16,17)
InChIKeyYGDZXLHFWWFZGR-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide?
The IUPAC name of N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide (CID 139018848) is N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide.
What is the SMILES notation for N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide?
The canonical SMILES for N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide is C=CC(=O)Nc1cccc2c(Cl)c(C)cnc12.
What is the InChIKey of N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide?
The InChIKey is YGDZXLHFWWFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-3-11(17)16-10-6-4-5-9-12(14)8(2)7-15-13(9)10/h3-7H,1H2,2H3,(H,16,17).
What are the key properties of N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide?
N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide has a molecular weight of 246.70 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylquinolin-8-yl)prop-2-enamide is sourced from PubChem (CID 139018848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).