2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate

C17H22N2O4 — CID 166842177

IUPAC2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate
SMILESCOCCOC(=O)[C@H](CC(C)C)n1cnc2ccccc2c1=O
InChIInChI=1S/C17H22N2O4/c1-12(2)10-15(17(21)23-9-8-22-3)19-11-18-14-7-5-4-6-13(14)16(19)20/h4-7,11-12,15H,8-10H2,1-3H3/t15-/m0/s1
InChIKeyKFGLGLOTGKKOBF-HNNXBMFYSA-N
MW318.37 g/mol
LogP2.17
Rot. Bonds7

About 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate

2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate (PubChem CID 166842177) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate.

Molecular Properties

Compound Name2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate
PubChem CID166842177
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate
SMILESCOCCOC(=O)[C@H](CC(C)C)n1cnc2ccccc2c1=O
InChIInChI=1S/C17H22N2O4/c1-12(2)10-15(17(21)23-9-8-22-3)19-11-18-14-7-5-4-6-13(14)16(19)20/h4-7,11-12,15H,8-10H2,1-3H3/t15-/m0/s1
InChIKeyKFGLGLOTGKKOBF-HNNXBMFYSA-N
XLogP2.17
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanoic acid
CID 4835127
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
(2R)-4-methyl-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)pentanamide
CID 39781689
4-methyl-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)pentanamide
CID 45204879
methyl (3S)-3-[[(2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoate
CID 139579959
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate
CID 17464812
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
(2S)-N-[(1S)-1-[3-(2-fluorophenyl)phenyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide
CID 158841273
tert-butyl (2S)-2-(4-oxoquinazolin-3-yl)propanoate;triphenylphosphane
CID 158844470

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate?
The IUPAC name of 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate (CID 166842177) is 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate.
What is the SMILES notation for 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate?
The canonical SMILES for 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate is COCCOC(=O)[C@H](CC(C)C)n1cnc2ccccc2c1=O.
What is the InChIKey of 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate?
The InChIKey is KFGLGLOTGKKOBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(2)10-15(17(21)23-9-8-22-3)19-11-18-14-7-5-4-6-13(14)16(19)20/h4-7,11-12,15H,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate?
2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate has a molecular weight of 318.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoate is sourced from PubChem (CID 166842177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).