3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one

C19H17ClN2O3 — CID 54747502

IUPAC3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)C[C@H](N)c2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O3/c1-22-15-5-3-2-4-13(15)18(24)17(19(22)25)16(23)10-14(21)11-6-8-12(20)9-7-11/h2-9,14,24H,10,21H2,1H3/t14-/m0/s1
InChIKeyHZMPKVODDKWYIP-AWEZNQCLSA-N
MW356.81 g/mol
LogP3.17
Rot. Bonds4

About 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one

3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54747502) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
PubChem CID54747502
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)C[C@H](N)c2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O3/c1-22-15-5-3-2-4-13(15)18(24)17(19(22)25)16(23)10-14(21)11-6-8-12(20)9-7-11/h2-9,14,24H,10,21H2,1H3/t14-/m0/s1
InChIKeyHZMPKVODDKWYIP-AWEZNQCLSA-N
XLogP3.17
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-3-amino-3-(2-hydroxyphenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747504
3-[(3R)-3-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747487
4-hydroxy-3-[3-(2-hydroxyphenyl)-3-(N-phenylanilino)propanoyl]-1-methylquinolin-2-one
CID 54697106
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
3-[(3S)-3-(4-aminoanilino)-3-(1,3-benzodioxol-5-yl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54693977
3-[(3S)-3-[4-(dimethylamino)phenyl]-3-(pyridin-4-ylmethylamino)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747486
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
4-hydroxy-1-methyl-3-(3-morpholin-4-ylpropanoyl)quinolin-2-one
CID 163183627
3-[(3R)-3-[(8-aminonaphthalen-1-yl)amino]-3-(2-hydroxyphenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54693968
3-[N-[(2S)-1-aminopropan-2-yl]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 136774510

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one (CID 54747502) is 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(C(=O)C[C@H](N)c2ccc(Cl)cc2)c(O)c2ccccc21.
What is the InChIKey of 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is HZMPKVODDKWYIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-22-15-5-3-2-4-13(15)18(24)17(19(22)25)16(23)10-14(21)11-6-8-12(20)9-7-11/h2-9,14,24H,10,21H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one?
3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 356.81 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54747502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).