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

C21H20ClN3O — CID 68978733

IUPACN-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCCc1cc(N)c2cc(NC(=O)C=Cc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C21H20ClN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)
InChIKeyWSVARIJKECKDOY-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.07
Rot. Bonds5

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

N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 68978733) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID68978733
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCCc1cc(N)c2cc(NC(=O)C=Cc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C21H20ClN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26)
InChIKeyWSVARIJKECKDOY-UHFFFAOYSA-N
XLogP5.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 10309789
ethyl 4-amino-6-[3-(4-chlorophenyl)prop-2-enoylamino]-2-propylquinoline-3-carboxylate
CID 72613261
(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10150552
N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide
CID 11575621
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 10216141
(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 59981865
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
ethyl 4-amino-2-propyl-6-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]quinoline-3-carboxylate
CID 10195473

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 68978733) is N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide is CCCc1cc(N)c2cc(NC(=O)C=Cc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is WSVARIJKECKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-3-16-13-19(23)18-12-17(9-10-20(18)24-16)25-21(26)11-6-14-4-7-15(22)8-5-14/h4-13H,2-3H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 365.86 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 68978733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).