N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

C24H27FN2O4 — CID 23555590

IUPACN-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C24H27FN2O4/c1-3-4-7-14-31-22-20(30-2)11-10-17-15-18(24(29)27-21(17)22)23(28)26-13-12-16-8-5-6-9-19(16)25/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyAPBXTKPCKQBWBT-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.22
Rot. Bonds10

About N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (PubChem CID 23555590) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
PubChem CID23555590
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C24H27FN2O4/c1-3-4-7-14-31-22-20(30-2)11-10-17-15-18(24(29)27-21(17)22)23(28)26-13-12-16-8-5-6-9-19(16)25/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyAPBXTKPCKQBWBT-UHFFFAOYSA-N
XLogP4.22
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide (CID 23555590) is N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3F)c(=O)[nH]c12.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
The InChIKey is APBXTKPCKQBWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-3-4-7-14-31-22-20(30-2)11-10-17-15-18(24(29)27-21(17)22)23(28)26-13-12-16-8-5-6-9-19(16)25/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23555590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).