N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide

C24H27FN2O4 — CID 56679805

IUPACN-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide
SMILESCCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC
InChIInChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLJHKGTZIZBZIPG-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.09
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide (PubChem CID 56679805) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide
PubChem CID56679805
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide
SMILESCCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC
InChIInChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLJHKGTZIZBZIPG-UHFFFAOYSA-N
XLogP4.09
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide 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

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 9825181
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 9888694
N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11697527
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic Acid Phenethylamide
CID 11718456
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
CID 23555584
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23555586
N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 23555590
N-[2-(4-fluorophenyl)ethyl]-2-oxo-7,8-dipentoxy-1H-quinoline-3-carboxamide
CID 23555592
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 23555596
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide
CID 23555598
W5H9TE2Bny
CID 67528638
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic acid(3-phenylpropyl)amide
CID 11618679

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide (CID 56679805) is N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide is CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide?
The InChIKey is LJHKGTZIZBZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-7-methoxy-2-oxo-6-pentyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56679805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).