methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate

C14H14N2O4 — CID 46949976

IUPACmethyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
SMILESCOC(=O)CC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H14N2O4/c1-20-13(18)8-10(17)6-7-16-9-15-12-5-3-2-4-11(12)14(16)19/h2-5,9H,6-8H2,1H3
InChIKeySAVVNPGJFRPQOB-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.92
Rot. Bonds5

About methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate

methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate (PubChem CID 46949976) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate.

Molecular Properties

Compound Namemethyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
PubChem CID46949976
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
SMILESCOC(=O)CC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C14H14N2O4/c1-20-13(18)8-10(17)6-7-16-9-15-12-5-3-2-4-11(12)14(16)19/h2-5,9H,6-8H2,1H3
InChIKeySAVVNPGJFRPQOB-UHFFFAOYSA-N
XLogP0.92
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
[(1R,2R)-2-methoxycyclopentyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 96523727
3-propylquinazolin-4-one
CID 529124
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-methyl-3-(4-oxoquinazolin-3-yl)-N-phenylpropanamide
CID 25298269
2-(4-oxoquinazolin-3-yl)ethyl 4-methylpentanoate
CID 30338221
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate
CID 16573162
3-[3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128983150

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate?
The IUPAC name of methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate (CID 46949976) is methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate.
What is the SMILES notation for methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate?
The canonical SMILES for methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate is COC(=O)CC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate?
The InChIKey is SAVVNPGJFRPQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-13(18)8-10(17)6-7-16-9-15-12-5-3-2-4-11(12)14(16)19/h2-5,9H,6-8H2,1H3.
What are the key properties of methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate?
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate has a molecular weight of 274.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate is sourced from PubChem (CID 46949976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).