[(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C24H24N2O5 — CID 8551841

IUPAC[(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCOCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C24H24N2O5/c1-30-17-15-25-22(28)19-11-5-6-12-20(19)26-21(27)13-14-24(25,26)23(29)31-16-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3/b10-7+/t24-/m0/s1
InChIKeyGIKISOBACWFAAP-REXAPNPKSA-N
MW420.47 g/mol
LogP2.87
Rot. Bonds7

About [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

[(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 8551841) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
PubChem CID8551841
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCOCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C24H24N2O5/c1-30-17-15-25-22(28)19-11-5-6-12-20(19)26-21(27)13-14-24(25,26)23(29)31-16-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3/b10-7+/t24-/m0/s1
InChIKeyGIKISOBACWFAAP-REXAPNPKSA-N
XLogP2.87
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzoyloxyethyl 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 43056487
(2-fluorophenyl)methyl 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 46612091
[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 55444816
2-oxopropyl (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8510188
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (3aS)-1,5-dioxo-4-propyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8667962
(2-methoxy-2-oxoethyl) (3aS)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 26288404
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2-methylpropyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 46611044
phenacyl (3aR)-4-(2-methylpropyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 9123832
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 18203608
phenacyl (3aS)-4-(2-methylpropyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 9123831
propyl (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 30472081
[2-oxo-2-(propan-2-ylamino)ethyl] (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8510251

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 8551841) is [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The InChIKey is GIKISOBACWFAAP-REXAPNPKSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-30-17-15-25-22(28)19-11-5-6-12-20(19)26-21(27)13-14-24(25,26)23(29)31-16-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3/b10-7+/t24-/m0/s1.
What are the key properties of [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
[(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (3aS)-4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 8551841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).