ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate

C19H14N2O4 — CID 10496920

IUPACethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate
SMILESCCOC(=O)C1OC12c1ccccc1-n1c2nc2ccccc2c1=O
InChIInChI=1S/C19H14N2O4/c1-2-24-17(23)15-19(25-15)12-8-4-6-10-14(12)21-16(22)11-7-3-5-9-13(11)20-18(19)21/h3-10,15H,2H2,1H3
InChIKeyDBGFOLKXZBFNPW-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.90
Rot. Bonds2

About ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate

ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate (PubChem CID 10496920) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate.

Molecular Properties

Compound Nameethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate
PubChem CID10496920
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Nameethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate
SMILESCCOC(=O)C1OC12c1ccccc1-n1c2nc2ccccc2c1=O
InChIInChI=1S/C19H14N2O4/c1-2-24-17(23)15-19(25-15)12-8-4-6-10-14(12)21-16(22)11-7-3-5-9-13(11)20-18(19)21/h3-10,15H,2H2,1H3
InChIKeyDBGFOLKXZBFNPW-UHFFFAOYSA-N
XLogP1.90
TPSA73.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl (2'S,3S)-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxylate
CID 102223024
2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
CID 132520591
6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
CID 162416327
6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
CID 135029602
ethyl 4-[1-(2-methylpropyl)-4,6,12'-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-5-yl]benzoate
CID 73399419
ethyl 4-[(1R,3S,3aS,6aS)-1-(2-methylpropyl)-4,6,12'-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-5-yl]benzoate
CID 163079411
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
(1R,3S,3aS,6aR)-5-(2-methylphenyl)-1-(2-methylpropyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-4,6,12'-trione
CID 51526077
2-(1-ethoxyethenyl)-3-methylquinazolin-4-one
CID 70298054
ethyl N-[2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7418989
ethyl (2S,3R)-3-hydroxy-3-methyl-2H-1-benzofuran-2-carboxylate
CID 15643807
2-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-3-phenylquinazolin-4-one
CID 5036673

Frequently Asked Questions

What is the IUPAC name of ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate?
The IUPAC name of ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate (CID 10496920) is ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate.
What is the SMILES notation for ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate?
The canonical SMILES for ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate is CCOC(=O)C1OC12c1ccccc1-n1c2nc2ccccc2c1=O.
What is the InChIKey of ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate?
The InChIKey is DBGFOLKXZBFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-2-24-17(23)15-19(25-15)12-8-4-6-10-14(12)21-16(22)11-7-3-5-9-13(11)20-18(19)21/h3-10,15H,2H2,1H3.
What are the key properties of ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate?
ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 12-oxospiro[indolo[2,1-b]quinazoline-6,3'-oxirane]-2'-carboxylate is sourced from PubChem (CID 10496920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).