[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C26H27N3O5 — CID 55393017

IUPAC[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCC(c1ccccc1)N(C)C(=O)COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1
InChIInChI=1S/C26H27N3O5/c1-17(18-8-4-3-5-9-18)27(2)23(31)16-34-25(33)26-15-14-22(30)29(26)21-11-7-6-10-20(21)24(32)28(26)19-12-13-19/h3-11,17,19H,12-16H2,1-2H3
InChIKeyWXVDJWVKCNIDRO-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.89
Rot. Bonds6

About [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 55393017) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

Compound Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
PubChem CID55393017
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCC(c1ccccc1)N(C)C(=O)COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1
InChIInChI=1S/C26H27N3O5/c1-17(18-8-4-3-5-9-18)27(2)23(31)16-34-25(33)26-15-14-22(30)29(26)21-11-7-6-10-20(21)24(32)28(26)19-12-13-19/h3-11,17,19H,12-16H2,1-2H3
InChIKeyWXVDJWVKCNIDRO-UHFFFAOYSA-N
XLogP2.89
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The IUPAC name of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 55393017) is [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.
What is the SMILES notation for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The canonical SMILES for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is CC(c1ccccc1)N(C)C(=O)COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1.
What is the InChIKey of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The InChIKey is WXVDJWVKCNIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-17(18-8-4-3-5-9-18)27(2)23(31)16-34-25(33)26-15-14-22(30)29(26)21-11-7-6-10-20(21)24(32)28(26)19-12-13-19/h3-11,17,19H,12-16H2,1-2H3.
What are the key properties of [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 461.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 55393017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).