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

C24H26ClN3O — CID 10309789

IUPAC(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCCCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C24H26ClN3O/c1-2-3-4-5-6-19-16-22(26)21-15-20(12-13-23(21)27-19)28-24(29)14-9-17-7-10-18(25)11-8-17/h7-16H,2-6H2,1H3,(H2,26,27)(H,28,29)/b14-9+
InChIKeyFJXCUCYVJLWUIO-NTEUORMPSA-N
MW407.95 g/mol
LogP6.25
Rot. Bonds8

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

(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 10309789) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID10309789
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCCCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C24H26ClN3O/c1-2-3-4-5-6-19-16-22(26)21-15-20(12-13-23(21)27-19)28-24(29)14-9-17-7-10-18(25)11-8-17/h7-16H,2-6H2,1H3,(H2,26,27)(H,28,29)/b14-9+
InChIKeyFJXCUCYVJLWUIO-NTEUORMPSA-N
XLogP6.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10150552
ethyl 4-amino-6-[3-(4-chlorophenyl)prop-2-enoylamino]-2-propylquinoline-3-carboxylate
CID 72613261
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenoxy)benzamide
CID 11575621
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-butyl-3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 17197071
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 10309789) is (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide is CCCCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is FJXCUCYVJLWUIO-NTEUORMPSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-2-3-4-5-6-19-16-22(26)21-15-20(12-13-23(21)27-19)28-24(29)14-9-17-7-10-18(25)11-8-17/h7-16H,2-6H2,1H3,(H2,26,27)(H,28,29)/b14-9+.
What are the key properties of (E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 407.95 g/mol, XLogP of 6.25, 8 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-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 10309789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).