2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide

C23H26N4O4 — CID 55615324

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N3CCOCC3)cc2C)c1=O
InChIInChI=1S/C23H26N4O4/c1-3-26-22(29)18-6-4-5-7-20(18)27(23(26)30)15-21(28)24-19-9-8-17(14-16(19)2)25-10-12-31-13-11-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)
InChIKeyCERLZPXZHQSHSU-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.97
Rot. Bonds5

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide (PubChem CID 55615324) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
PubChem CID55615324
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N3CCOCC3)cc2C)c1=O
InChIInChI=1S/C23H26N4O4/c1-3-26-22(29)18-6-4-5-7-20(18)27(23(26)30)15-21(28)24-19-9-8-17(14-16(19)2)25-10-12-31-13-11-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)
InChIKeyCERLZPXZHQSHSU-UHFFFAOYSA-N
XLogP1.97
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
3-(2-hydroxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 46415307
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
2-(3-cyclopentyl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 6619229
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide (CID 55615324) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(N3CCOCC3)cc2C)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is CERLZPXZHQSHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-26-22(29)18-6-4-5-7-20(18)27(23(26)30)15-21(28)24-19-9-8-17(14-16(19)2)25-10-12-31-13-11-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55615324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).