(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate

C20H14N2O5 — CID 16573083

IUPAC(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(CCn1cnc2ccccc2c1=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H14N2O5/c23-18-8-6-13-5-7-14(11-17(13)27-18)26-19(24)9-10-22-12-21-16-4-2-1-3-15(16)20(22)25/h1-8,11-12H,9-10H2
InChIKeyLZBPTQMNGRVWJW-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.50
Rot. Bonds4

About (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate

(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate (PubChem CID 16573083) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate
PubChem CID16573083
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate
SMILESO=C(CCn1cnc2ccccc2c1=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H14N2O5/c23-18-8-6-13-5-7-14(11-17(13)27-18)26-19(24)9-10-22-12-21-16-4-2-1-3-15(16)20(22)25/h1-8,11-12H,9-10H2
InChIKeyLZBPTQMNGRVWJW-UHFFFAOYSA-N
XLogP2.50
TPSA91.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxyphenyl) 3-(4-oxoquinazolin-3-yl)propanoate
CID 16573162
(2-oxochromen-7-yl) butanoate
CID 781717
(3,4-dimethylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 9097161
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
methyl 3-oxo-5-(4-oxoquinazolin-3-yl)pentanoate
CID 46949976
(2-methyl-4-oxo-3-phenylchromen-7-yl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 27146811
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974
3-(4-oxoquinazolin-3-yl)propyl naphthalene-2-carboxylate
CID 30338758
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
2-(2-chlorophenoxy)ethyl 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661027
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate (CID 16573083) is (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate is O=C(CCn1cnc2ccccc2c1=O)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate?
The InChIKey is LZBPTQMNGRVWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c23-18-8-6-13-5-7-14(11-17(13)27-18)26-19(24)9-10-22-12-21-16-4-2-1-3-15(16)20(22)25/h1-8,11-12H,9-10H2.
What are the key properties of (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate?
(2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate has a molecular weight of 362.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) 3-(4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 16573083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).