ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate

C17H15N3O5 — CID 169334945

IUPACethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate
SMILESCCOC(=O)Nn1c(C)nc2ccc(-c3ccc(C=O)o3)cc2c1=O
InChIInChI=1S/C17H15N3O5/c1-3-24-17(23)19-20-10(2)18-14-6-4-11(8-13(14)16(20)22)15-7-5-12(9-21)25-15/h4-9H,3H2,1-2H3,(H,19,23)
InChIKeyFOOZPLUPLDMTCE-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.48
Rot. Bonds4

About ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate

ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate (PubChem CID 169334945) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate
PubChem CID169334945
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Nameethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate
SMILESCCOC(=O)Nn1c(C)nc2ccc(-c3ccc(C=O)o3)cc2c1=O
InChIInChI=1S/C17H15N3O5/c1-3-24-17(23)19-20-10(2)18-14-6-4-11(8-13(14)16(20)22)15-7-5-12(9-21)25-15/h4-9H,3H2,1-2H3,(H,19,23)
InChIKeyFOOZPLUPLDMTCE-UHFFFAOYSA-N
XLogP2.48
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(6-iodo-4-oxo-2-phenylquinazolin-3-yl)carbamate
CID 10526860
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
ethyl N-[4-(5-formylfuran-2-yl)-2-nitrophenyl]carbamate
CID 169333360
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
CID 145228205
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
ethyl 2-[3-(5-formylfuran-2-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 169334734
ethyl 6-(5-formylfuran-2-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 169334928
N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
CID 169334090
5-[1-(2-hydroxyethyl)-2-phenylbenzimidazol-5-yl]furan-2-carbaldehyde
CID 169334349
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate (CID 169334945) is ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate is CCOC(=O)Nn1c(C)nc2ccc(-c3ccc(C=O)o3)cc2c1=O.
What is the InChIKey of ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate?
The InChIKey is FOOZPLUPLDMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-3-24-17(23)19-20-10(2)18-14-6-4-11(8-13(14)16(20)22)15-7-5-12(9-21)25-15/h4-9H,3H2,1-2H3,(H,19,23).
What are the key properties of ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate?
ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate has a molecular weight of 341.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(5-formylfuran-2-yl)-2-methyl-4-oxoquinazolin-3-yl]carbamate is sourced from PubChem (CID 169334945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).