(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H18FN3O3 — CID 52550083

IUPAC(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESNC(=O)CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c20-12-5-7-13(8-6-12)23(10-9-17(21)24)19(26)15-11-18(25)22-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H2,21,24)(H,22,25)/t15-/m0/s1
InChIKeyZUMRDIAURFMWRA-HNNXBMFYSA-N
MW355.37 g/mol
LogP2.16
Rot. Bonds5

About (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 52550083) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID52550083
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESNC(=O)CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c20-12-5-7-13(8-6-12)23(10-9-17(21)24)19(26)15-11-18(25)22-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H2,21,24)(H,22,25)/t15-/m0/s1
InChIKeyZUMRDIAURFMWRA-HNNXBMFYSA-N
XLogP2.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 52550083) is (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is NC(=O)CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZUMRDIAURFMWRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-12-5-7-13(8-6-12)23(10-9-17(21)24)19(26)15-11-18(25)22-16-4-2-1-3-14(15)16/h1-8,15H,9-11H2,(H2,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 52550083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).