3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one

C19H17ClN4O2 — CID 23656424

IUPAC3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one
SMILESCOc1ccc(C2C(Cl)C(=O)N2Nc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H17ClN4O2/c1-11-18(22-15-6-4-3-5-14(15)21-11)23-24-17(16(20)19(24)25)12-7-9-13(26-2)10-8-12/h3-10,16-17H,1-2H3,(H,22,23)
InChIKeyRUYXQLRTMGFYEN-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one

3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one (PubChem CID 23656424) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one.

Molecular Properties

Compound Name3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one
PubChem CID23656424
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one
SMILESCOc1ccc(C2C(Cl)C(=O)N2Nc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H17ClN4O2/c1-11-18(22-15-6-4-3-5-14(15)21-11)23-24-17(16(20)19(24)25)12-7-9-13(26-2)10-8-12/h3-10,16-17H,1-2H3,(H,22,23)
InChIKeyRUYXQLRTMGFYEN-UHFFFAOYSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(4-methoxyphenyl)-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 10503106
3-chloro-4-(4-methoxyphenyl)-1-naphthalen-2-ylazetidin-2-one
CID 11559132
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
CID 25023378
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 10790323
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
CID 100923623
1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(4-methoxyphenyl)azetidin-2-one
CID 24740292
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
3-chloro-4-(4-methoxyphenyl)-1-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]azetidin-2-one
CID 11283654
4-[[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-(4-methoxyphenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 139231669
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
CID 133444704
N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-3,4,5-trimethoxybenzamide
CID 3794828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one?
The IUPAC name of 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one (CID 23656424) is 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one.
What is the SMILES notation for 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one?
The canonical SMILES for 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one is COc1ccc(C2C(Cl)C(=O)N2Nc2nc3ccccc3nc2C)cc1.
What is the InChIKey of 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one?
The InChIKey is RUYXQLRTMGFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-11-18(22-15-6-4-3-5-14(15)21-11)23-24-17(16(20)19(24)25)12-7-9-13(26-2)10-8-12/h3-10,16-17H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one?
3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one has a molecular weight of 368.82 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-methoxyphenyl)-1-[(3-methylquinoxalin-2-yl)amino]azetidin-2-one is sourced from PubChem (CID 23656424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).