2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide

C24H23ClN4O4 — CID 166818510

IUPAC2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2c(=O)n1C1CCCC(=O)NC1=O
InChIInChI=1S/C24H23ClN4O4/c1-14-27-19-10-7-16(13-26-22(31)12-15-5-8-17(25)9-6-15)11-18(19)24(33)29(14)20-3-2-4-21(30)28-23(20)32/h5-11,20H,2-4,12-13H2,1H3,(H,26,31)(H,28,30,32)
InChIKeyWFHSXVFUTIRZAJ-UHFFFAOYSA-N
MW466.93 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide

2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide (PubChem CID 166818510) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
PubChem CID166818510
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC Name2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
SMILESCc1nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2c(=O)n1C1CCCC(=O)NC1=O
InChIInChI=1S/C24H23ClN4O4/c1-14-27-19-10-7-16(13-26-22(31)12-15-5-8-17(25)9-6-15)11-18(19)24(33)29(14)20-3-2-4-21(30)28-23(20)32/h5-11,20H,2-4,12-13H2,1H3,(H,26,31)(H,28,30,32)
InChIKeyWFHSXVFUTIRZAJ-UHFFFAOYSA-N
XLogP2.59
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide (CID 166818510) is 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide is Cc1nc2ccc(CNC(=O)Cc3ccc(Cl)cc3)cc2c(=O)n1C1CCCC(=O)NC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
The InChIKey is WFHSXVFUTIRZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-14-27-19-10-7-16(13-26-22(31)12-15-5-8-17(25)9-6-15)11-18(19)24(33)29(14)20-3-2-4-21(30)28-23(20)32/h5-11,20H,2-4,12-13H2,1H3,(H,26,31)(H,28,30,32).
What are the key properties of 2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide has a molecular weight of 466.93 g/mol, XLogP of 2.59, 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-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide is sourced from PubChem (CID 166818510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).