N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide

C25H29FN2O4 — CID 23555596

IUPACN-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
InChIInChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
InChIKeyYTEFZXWUHRMWQJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.23
Rot. Bonds10

About N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide (PubChem CID 23555596) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
PubChem CID23555596
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
SMILESCCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
InChIInChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
InChIKeyYTEFZXWUHRMWQJ-UHFFFAOYSA-N
XLogP4.23
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Jte-907
CID 9867770
8-butoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 9817492
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
7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 11373824
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-2-oxo-8-propoxy-1H-quinoline-3-carboxamide
CID 23555598

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide (CID 23555596) is N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide is CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide?
The InChIKey is YTEFZXWUHRMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide is sourced from PubChem (CID 23555596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).