N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

C20H19ClN2O2 — CID 51949830

IUPACN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H19ClN2O2/c1-13(10-14-6-8-17(21)9-7-14)22-19(24)12-16-11-15-4-2-3-5-18(15)23-20(16)25/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyQNXMZAHUYFFNFI-ZDUSSCGKSA-N
MW354.84 g/mol
LogP3.47
Rot. Bonds5

About N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 51949830) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID51949830
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H19ClN2O2/c1-13(10-14-6-8-17(21)9-7-14)22-19(24)12-16-11-15-4-2-3-5-18(15)23-20(16)25/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,25)/t13-/m0/s1
InChIKeyQNXMZAHUYFFNFI-ZDUSSCGKSA-N
XLogP3.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 51949830) is N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is C[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is QNXMZAHUYFFNFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13(10-14-6-8-17(21)9-7-14)22-19(24)12-16-11-15-4-2-3-5-18(15)23-20(16)25/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 354.84 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 51949830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).