[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate

C16H20N2O3 — CID 135784464

IUPAC[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-10(2)8-9-14(19)21-11(3)15-17-13-7-5-4-6-12(13)16(20)18-15/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,20)/t11-/m0/s1
InChIKeyPSJQMDDXXFYLMW-NSHDSACASA-N
MW288.35 g/mol
LogP2.96
Rot. Bonds5

About [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate

[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate (PubChem CID 135784464) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate.

Molecular Properties

Compound Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
PubChem CID135784464
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H20N2O3/c1-10(2)8-9-14(19)21-11(3)15-17-13-7-5-4-6-12(13)16(20)18-15/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,20)/t11-/m0/s1
InChIKeyPSJQMDDXXFYLMW-NSHDSACASA-N
XLogP2.96
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate with MolForge

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Related Compounds

[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-phenoxypropanoate
CID 135819391
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-acetamidopropanoate
CID 135816941
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-phenoxybutanoate
CID 135816774
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (3S)-3-phenylbutanoate
CID 135831951
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenoxyacetate
CID 135582860
1-(4-oxo-3H-quinazolin-2-yl)ethyl 3-(4-methylphenoxy)propanoate
CID 135895426
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2-methoxyphenyl)propanoate
CID 135803855
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 135720328
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate
CID 135780436
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 135745593
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(1H-indol-3-yl)butanoate
CID 135739421

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate?
The IUPAC name of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate (CID 135784464) is [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate.
What is the SMILES notation for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate?
The canonical SMILES for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate is CC(C)CCC(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate?
The InChIKey is PSJQMDDXXFYLMW-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)8-9-14(19)21-11(3)15-17-13-7-5-4-6-12(13)16(20)18-15/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,20)/t11-/m0/s1.
What are the key properties of [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate?
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate has a molecular weight of 288.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-methylpentanoate is sourced from PubChem (CID 135784464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).