(3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C22H20N2O7 — CID 55517390

IUPAC(3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1
InChIInChI=1S/C22H20N2O7/c1-29-20(27)15-9-11-30-17(15)12-31-21(28)22-10-8-18(25)24(22)16-5-3-2-4-14(16)19(26)23(22)13-6-7-13/h2-5,9,11,13H,6-8,10,12H2,1H3
InChIKeyVSTUCYUVVDQQLH-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.25
Rot. Bonds5

About (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

(3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 55517390) has the molecular formula C22H20N2O7 and a molecular weight of 424.41 g/mol. Its IUPAC name is (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
PubChem CID55517390
Molecular FormulaC22H20N2O7
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name(3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1
InChIInChI=1S/C22H20N2O7/c1-29-20(27)15-9-11-30-17(15)12-31-21(28)22-10-8-18(25)24(22)16-5-3-2-4-14(16)19(26)23(22)13-6-7-13/h2-5,9,11,13H,6-8,10,12H2,1H3
InChIKeyVSTUCYUVVDQQLH-UHFFFAOYSA-N
XLogP2.25
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The IUPAC name of (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 55517390) is (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.
What is the SMILES notation for (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The canonical SMILES for (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is COC(=O)c1ccoc1COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1.
What is the InChIKey of (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The InChIKey is VSTUCYUVVDQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7/c1-29-20(27)15-9-11-30-17(15)12-31-21(28)22-10-8-18(25)24(22)16-5-3-2-4-14(16)19(26)23(22)13-6-7-13/h2-5,9,11,13H,6-8,10,12H2,1H3.
What are the key properties of (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
(3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 424.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylfuran-2-yl)methyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 55517390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).