2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide

C15H18FN3O2 — CID 46585809

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C15H18FN3O2/c1-2-3-4-7-17-14(20)9-19-10-18-13-6-5-11(16)8-12(13)15(19)21/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,20)
InChIKeyIVVKGCKJMBMMEU-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.84
Rot. Bonds6

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide (PubChem CID 46585809) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
PubChem CID46585809
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C15H18FN3O2/c1-2-3-4-7-17-14(20)9-19-10-18-13-6-5-11(16)8-12(13)15(19)21/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,20)
InChIKeyIVVKGCKJMBMMEU-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide 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

N-(2-ethylhexyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46581687
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide
CID 55862367
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 46400059
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 42572072
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46413948
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide (CID 46585809) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide is CCCCCNC(=O)Cn1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide?
The InChIKey is IVVKGCKJMBMMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-3-4-7-17-14(20)9-19-10-18-13-6-5-11(16)8-12(13)15(19)21/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,20).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide has a molecular weight of 291.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide is sourced from PubChem (CID 46585809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).