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

C22H23FN2O4 — CID 23555598

IUPACN-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide
SMILESCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
InChIInChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPEAAKWGEQGHNHJ-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.44
Rot. Bonds8

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

N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide (PubChem CID 23555598) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide
PubChem CID23555598
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide
SMILESCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
InChIInChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyPEAAKWGEQGHNHJ-UHFFFAOYSA-N
XLogP3.44
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide (CID 23555598) is N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide is CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide?
The InChIKey is PEAAKWGEQGHNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-propoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23555598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).