1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide

C24H24F2N4O2 — CID 6859721

IUPAC1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C(/C)c2ccc(F)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21
InChIInChI=1S/C24H24F2N4O2/c1-3-29-14-19(24(32)28-27-15(2)16-6-8-17(25)9-7-16)23(31)18-12-20(26)22(13-21(18)29)30-10-4-5-11-30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,28,32)/b27-15-
InChIKeyQBPQGWLRWLMSDK-DICXZTSXSA-N
MW438.48 g/mol
LogP4.05
Rot. Bonds5

About 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide

1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 6859721) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID6859721
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C(/C)c2ccc(F)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21
InChIInChI=1S/C24H24F2N4O2/c1-3-29-14-19(24(32)28-27-15(2)16-6-8-17(25)9-7-16)23(31)18-12-20(26)22(13-21(18)29)30-10-4-5-11-30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,28,32)/b27-15-
InChIKeyQBPQGWLRWLMSDK-DICXZTSXSA-N
XLogP4.05
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide (CID 6859721) is 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide is CCn1cc(C(=O)N/N=C(/C)c2ccc(F)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is QBPQGWLRWLMSDK-DICXZTSXSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-3-29-14-19(24(32)28-27-15(2)16-6-8-17(25)9-7-16)23(31)18-12-20(26)22(13-21(18)29)30-10-4-5-11-30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,28,32)/b27-15-.
What are the key properties of 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide?
1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 6859721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).