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

C20H21N3O2 — CID 51103841

IUPAC2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15(16-7-3-2-4-8-16)11-12-21-19(24)13-23-14-22-18-10-6-5-9-17(18)20(23)25/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyWNIOQSXORUWNCE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds6

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

2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide (PubChem CID 51103841) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
PubChem CID51103841
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-15(16-7-3-2-4-8-16)11-12-21-19(24)13-23-14-22-18-10-6-5-9-17(18)20(23)25/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyWNIOQSXORUWNCE-UHFFFAOYSA-N
XLogP2.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2540751
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide (CID 51103841) is 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide is CC(CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide?
The InChIKey is WNIOQSXORUWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(16-7-3-2-4-8-16)11-12-21-19(24)13-23-14-22-18-10-6-5-9-17(18)20(23)25/h2-10,14-15H,11-13H2,1H3,(H,21,24).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide is sourced from PubChem (CID 51103841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).