N-butyl-2-(4-oxoquinazolin-3-yl)acetamide

C14H17N3O2 — CID 2286297

IUPACN-butyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-2-3-8-15-13(18)9-17-10-16-12-7-5-4-6-11(12)14(17)19/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyCXMYEDPUJRALHC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.31
Rot. Bonds5

About N-butyl-2-(4-oxoquinazolin-3-yl)acetamide

N-butyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2286297) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-butyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2286297
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-butyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-2-3-8-15-13(18)9-17-10-16-12-7-5-4-6-11(12)14(17)19/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyCXMYEDPUJRALHC-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 42572072
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134024203
N-butyl-2-(4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)acetamide
CID 95920755
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-butyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 2286297) is N-butyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-oxoquinazolin-3-yl)acetamide is CCCCNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-butyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is CXMYEDPUJRALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-8-15-13(18)9-17-10-16-12-7-5-4-6-11(12)14(17)19/h4-7,10H,2-3,8-9H2,1H3,(H,15,18).
What are the key properties of N-butyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2286297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).