2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide

C23H21ClN4O4 — CID 86342620

IUPAC2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
SMILES[2H][C@]1(n2c(C)nc3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3c2=O)CCC(=O)NC1=O
InChIInChI=1S/C23H21ClN4O4/c1-13-26-18-7-4-15(12-25-21(30)11-14-2-5-16(24)6-3-14)10-17(18)23(32)28(13)19-8-9-20(29)27-22(19)31/h2-7,10,19H,8-9,11-12H2,1H3,(H,25,30)(H,27,29,31)/t19-/m0/s1/i19D
InChIKeyDXFMCMXHLMEAHH-MDGSFACESA-N
MW453.90 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide

2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide (PubChem CID 86342620) has the molecular formula C23H21ClN4O4 and a molecular weight of 453.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
PubChem CID86342620
Molecular FormulaC23H21ClN4O4
Molecular Weight453.90 g/mol
Exact Mass453.13
IUPAC Name2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
SMILES[2H][C@]1(n2c(C)nc3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3c2=O)CCC(=O)NC1=O
InChIInChI=1S/C23H21ClN4O4/c1-13-26-18-7-4-15(12-25-21(30)11-14-2-5-16(24)6-3-14)10-17(18)23(32)28(13)19-8-9-20(29)27-22(19)31/h2-7,10,19H,8-9,11-12H2,1H3,(H,25,30)(H,27,29,31)/t19-/m0/s1/i19D
InChIKeyDXFMCMXHLMEAHH-MDGSFACESA-N
XLogP2.19
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510
3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 129120524
3-[6-[[(4-chloroanilino)methylamino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 123897363
1-(3-chloro-4-methylphenyl)-3-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]urea
CID 86344128
3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
CID 159851508
2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]acetamide
CID 91180408
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide (CID 86342620) is 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide is [2H][C@]1(n2c(C)nc3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3c2=O)CCC(=O)NC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
The InChIKey is DXFMCMXHLMEAHH-MDGSFACESA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-13-26-18-7-4-15(12-25-21(30)11-14-2-5-16(24)6-3-14)10-17(18)23(32)28(13)19-8-9-20(29)27-22(19)31/h2-7,10,19H,8-9,11-12H2,1H3,(H,25,30)(H,27,29,31)/t19-/m0/s1/i19D.
What are the key properties of 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide has a molecular weight of 453.90 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide is sourced from PubChem (CID 86342620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).