N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide

C14H17N3O2 — CID 3803291

IUPACN-(3-ethyl-2-oxoquinazolin-4-yl)butanamide
SMILESCCCC(=O)Nc1c2ccccc2nc(=O)n1CC
InChIInChI=1S/C14H17N3O2/c1-3-7-12(18)16-13-10-8-5-6-9-11(10)15-14(19)17(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyXHILGLYNKGCIGV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.15
Rot. Bonds4

About N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide

N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide (PubChem CID 3803291) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxoquinazolin-4-yl)butanamide
PubChem CID3803291
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-ethyl-2-oxoquinazolin-4-yl)butanamide
SMILESCCCC(=O)Nc1c2ccccc2nc(=O)n1CC
InChIInChI=1S/C14H17N3O2/c1-3-7-12(18)16-13-10-8-5-6-9-11(10)15-14(19)17(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyXHILGLYNKGCIGV-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide?
The IUPAC name of N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide (CID 3803291) is N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide.
What is the SMILES notation for N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide?
The canonical SMILES for N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide is CCCC(=O)Nc1c2ccccc2nc(=O)n1CC.
What is the InChIKey of N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide?
The InChIKey is XHILGLYNKGCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-7-12(18)16-13-10-8-5-6-9-11(10)15-14(19)17(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide?
N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxoquinazolin-4-yl)butanamide is sourced from PubChem (CID 3803291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).