N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C14H17N3O2 — CID 7874878

IUPACN-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)8-17-9-15-12-7-5-4-6-11(12)14(17)19/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyUZUXBMNQCQBQPZ-SNVBAGLBSA-N
MW259.31 g/mol
LogP1.31
Rot. Bonds4

About N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 7874878) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID7874878
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)8-17-9-15-12-7-5-4-6-11(12)14(17)19/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyUZUXBMNQCQBQPZ-SNVBAGLBSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
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
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 7874878) is N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UZUXBMNQCQBQPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10(2)16-13(18)8-17-9-15-12-7-5-4-6-11(12)14(17)19/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7874878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).