[2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C19H22N4O6 — CID 8664969

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C
InChIInChI=1S/C19H22N4O6/c1-11(2)22-16(26)12-6-4-5-7-13(12)23-15(25)8-9-19(22,23)17(27)29-10-14(24)21-18(28)20-3/h4-7,11H,8-10H2,1-3H3,(H2,20,21,24,28)/t19-/m1/s1
InChIKeyWZNANZVVGDVUDJ-LJQANCHMSA-N
MW402.41 g/mol
LogP0.37
Rot. Bonds4

About [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 8664969) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
PubChem CID8664969
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C
InChIInChI=1S/C19H22N4O6/c1-11(2)22-16(26)12-6-4-5-7-13(12)23-15(25)8-9-19(22,23)17(27)29-10-14(24)21-18(28)20-3/h4-7,11H,8-10H2,1-3H3,(H2,20,21,24,28)/t19-/m1/s1
InChIKeyWZNANZVVGDVUDJ-LJQANCHMSA-N
XLogP0.37
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8664916
[2-(hexylamino)-2-oxoethyl] (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8665099
propyl (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 30472081
[2-(ethylcarbamoylamino)-2-oxoethyl] (3aR)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 7609881
[2-oxo-2-(propan-2-ylamino)ethyl] (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8510251
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8978429
[2-(ethylcarbamoylamino)-2-oxoethyl] (3aS)-4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 7736844
(4-bromophenyl)methyl 1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 46609340
[2-(2-methylpropylamino)-2-oxoethyl] (3aS)-4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8510265
[2-(3-methylbutylamino)-2-oxoethyl] (3aS)-4-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 7609838
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (3aS)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8664962
[2-oxo-2-(propan-2-ylamino)ethyl] (3aS)-1,5-dioxo-4-prop-2-enyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 8514122

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 8664969) is [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is CNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
The InChIKey is WZNANZVVGDVUDJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O6/c1-11(2)22-16(26)12-6-4-5-7-13(12)23-15(25)8-9-19(22,23)17(27)29-10-14(24)21-18(28)20-3/h4-7,11H,8-10H2,1-3H3,(H2,20,21,24,28)/t19-/m1/s1.
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 402.41 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] (3aR)-1,5-dioxo-4-propan-2-yl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 8664969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).