N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide

C14H17N3O2 — CID 2286174

IUPACN,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-16(4-2)13(18)9-17-10-15-12-8-6-5-7-11(12)14(17)19/h5-8,10H,3-4,9H2,1-2H3
InChIKeyVTRNHSOICIQFSP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds4

About N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide

N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2286174) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2286174
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-16(4-2)13(18)9-17-10-15-12-8-6-5-7-11(12)14(17)19/h5-8,10H,3-4,9H2,1-2H3
InChIKeyVTRNHSOICIQFSP-UHFFFAOYSA-N
XLogP1.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 2286174) is N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide is CCN(CC)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VTRNHSOICIQFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-16(4-2)13(18)9-17-10-15-12-8-6-5-7-11(12)14(17)19/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide?
N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2286174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).