N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide

C20H19N3O3 — CID 95335368

IUPACN-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
SMILESCC[C@@H](C(N)=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-2-17(19(21)25)23(13-8-4-3-5-9-13)20(26)15-12-18(24)22-16-11-7-6-10-14(15)16/h3-12,17H,2H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1
InChIKeyPXNXWZNMXXHPJC-KRWDZBQOSA-N
MW349.39 g/mol
LogP2.44
Rot. Bonds5

About N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide

N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide (PubChem CID 95335368) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
PubChem CID95335368
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide
SMILESCC[C@@H](C(N)=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H19N3O3/c1-2-17(19(21)25)23(13-8-4-3-5-9-13)20(26)15-12-18(24)22-16-11-7-6-10-14(15)16/h3-12,17H,2H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1
InChIKeyPXNXWZNMXXHPJC-KRWDZBQOSA-N
XLogP2.44
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide (CID 95335368) is N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide is CC[C@@H](C(N)=O)N(C(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide?
The InChIKey is PXNXWZNMXXHPJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-17(19(21)25)23(13-8-4-3-5-9-13)20(26)15-12-18(24)22-16-11-7-6-10-14(15)16/h3-12,17H,2H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide?
N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxobutan-2-yl]-2-oxo-N-phenyl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 95335368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).