2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide

C21H21N3O2 — CID 51273261

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC3(c4ccccc4)CCC3)cnc12
InChIInChI=1S/C21H21N3O2/c1-15-7-5-10-17-19(15)22-14-24(20(17)26)13-18(25)23-21(11-6-12-21)16-8-3-2-4-9-16/h2-5,7-10,14H,6,11-13H2,1H3,(H,23,25)
InChIKeyMYSULUBJCKHLDK-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.90
Rot. Bonds4

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide (PubChem CID 51273261) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
PubChem CID51273261
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC3(c4ccccc4)CCC3)cnc12
InChIInChI=1S/C21H21N3O2/c1-15-7-5-10-17-19(15)22-14-24(20(17)26)13-18(25)23-21(11-6-12-21)16-8-3-2-4-9-16/h2-5,7-10,14H,6,11-13H2,1H3,(H,23,25)
InChIKeyMYSULUBJCKHLDK-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60512610
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51264702
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60571916
1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 71942414
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 27873413
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51270885
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 43036753
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide (CID 51273261) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide is Cc1cccc2c(=O)n(CC(=O)NC3(c4ccccc4)CCC3)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide?
The InChIKey is MYSULUBJCKHLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-7-5-10-17-19(15)22-14-24(20(17)26)13-18(25)23-21(11-6-12-21)16-8-3-2-4-9-16/h2-5,7-10,14H,6,11-13H2,1H3,(H,23,25).
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide is sourced from PubChem (CID 51273261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).