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

C19H22N4O2 — CID 60512610

IUPACN-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC3(C#N)CCCCCC3)cnc12
InChIInChI=1S/C19H22N4O2/c1-14-7-6-8-15-17(14)21-13-23(18(15)25)11-16(24)22-19(12-20)9-4-2-3-5-10-19/h6-8,13H,2-5,9-11H2,1H3,(H,22,24)
InChIKeyVTQAPJJOOIMFRS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds3

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

N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 60512610) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID60512610
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC3(C#N)CCCCCC3)cnc12
InChIInChI=1S/C19H22N4O2/c1-14-7-6-8-15-17(14)21-13-23(18(15)25)11-16(24)22-19(12-20)9-4-2-3-5-10-19/h6-8,13H,2-5,9-11H2,1H3,(H,22,24)
InChIKeyVTQAPJJOOIMFRS-UHFFFAOYSA-N
XLogP2.44
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 51273261
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-(1-cyanocyclohexyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7560977
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 17394856
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
N-(1-cyanocycloheptyl)-2-(2,6-dimethylanilino)acetamide
CID 32908656
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 60512610) is N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NC3(C#N)CCCCCC3)cnc12.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VTQAPJJOOIMFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-7-6-8-15-17(14)21-13-23(18(15)25)11-16(24)22-19(12-20)9-4-2-3-5-10-19/h6-8,13H,2-5,9-11H2,1H3,(H,22,24).
What are the key properties of N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 60512610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).