7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide

C23H25FN2O2 — CID 25034602

IUPAC7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc21
InChIInChI=1S/C23H25FN2O2/c1-3-4-8-13-26-15-20(22(27)19-12-11-18(24)14-21(19)26)23(28)25-16(2)17-9-6-5-7-10-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyYHGUWSTYRLHMRJ-MRXNPFEDSA-N
MW380.46 g/mol
LogP4.82
Rot. Bonds7

About 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide

7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide (PubChem CID 25034602) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
PubChem CID25034602
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc21
InChIInChI=1S/C23H25FN2O2/c1-3-4-8-13-26-15-20(22(27)19-12-11-18(24)14-21(19)26)23(28)25-16(2)17-9-6-5-7-10-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyYHGUWSTYRLHMRJ-MRXNPFEDSA-N
XLogP4.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide (CID 25034602) is 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide is CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
The InChIKey is YHGUWSTYRLHMRJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-4-8-13-26-15-20(22(27)19-12-11-18(24)14-21(19)26)23(28)25-16(2)17-9-6-5-7-10-17/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide?
7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide is sourced from PubChem (CID 25034602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).