N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide

C28H32FN3O3 — CID 26341620

IUPACN-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)N(CCc1ccc(F)cc1)Cc1cc2ccc(OC)cc2nc1N1CCOCC1
InChIInChI=1S/C28H32FN3O3/c1-3-4-5-27(33)32(13-12-21-6-9-24(29)10-7-21)20-23-18-22-8-11-25(34-2)19-26(22)30-28(23)31-14-16-35-17-15-31/h3,6-11,18-19H,1,4-5,12-17,20H2,2H3
InChIKeyYMRMHVJZJOTNOZ-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.76
Rot. Bonds10

About N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide

N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide (PubChem CID 26341620) has the molecular formula C28H32FN3O3 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide
PubChem CID26341620
Molecular FormulaC28H32FN3O3
Molecular Weight477.58 g/mol
Exact Mass477.24
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide
SMILESC=CCCC(=O)N(CCc1ccc(F)cc1)Cc1cc2ccc(OC)cc2nc1N1CCOCC1
InChIInChI=1S/C28H32FN3O3/c1-3-4-5-27(33)32(13-12-21-6-9-24(29)10-7-21)20-23-18-22-8-11-25(34-2)19-26(22)30-28(23)31-14-16-35-17-15-31/h3,6-11,18-19H,1,4-5,12-17,20H2,2H3
InChIKeyYMRMHVJZJOTNOZ-UHFFFAOYSA-N
XLogP4.76
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide (CID 26341620) is N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide is C=CCCC(=O)N(CCc1ccc(F)cc1)Cc1cc2ccc(OC)cc2nc1N1CCOCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide?
The InChIKey is YMRMHVJZJOTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O3/c1-3-4-5-27(33)32(13-12-21-6-9-24(29)10-7-21)20-23-18-22-8-11-25(34-2)19-26(22)30-28(23)31-14-16-35-17-15-31/h3,6-11,18-19H,1,4-5,12-17,20H2,2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide?
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide has a molecular weight of 477.58 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]pent-4-enamide is sourced from PubChem (CID 26341620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).