2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide

C16H21N3O2 — CID 41103569

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-4-6-12(3)18-14(20)9-19-10-17-15-11(2)7-5-8-13(15)16(19)21/h5,7-8,10,12H,4,6,9H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIBGWZFZQUDLOEZ-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.01
Rot. Bonds5

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 41103569) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID41103569
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C16H21N3O2/c1-4-6-12(3)18-14(20)9-19-10-17-15-11(2)7-5-8-13(15)16(19)21/h5,7-8,10,12H,4,6,9H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIBGWZFZQUDLOEZ-GFCCVEGCSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 27016148
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 94798329
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51264702

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide (CID 41103569) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is IBGWZFZQUDLOEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-6-12(3)18-14(20)9-19-10-17-15-11(2)7-5-8-13(15)16(19)21/h5,7-8,10,12H,4,6,9H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 41103569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).