methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate

C19H19N3O7S — CID 11597226

IUPACmethyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate
SMILESCOC(=O)CN1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O
InChIInChI=1S/C19H19N3O7S/c1-11-16-17(19(25)22(18(16)24)10-15(23)28-2)13-9-12(3-4-14(13)20-11)30(26,27)21-5-7-29-8-6-21/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCQINRWDKHIPMBY-UHFFFAOYSA-N
MW433.44 g/mol
LogP0.33
Rot. Bonds4

About methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate

methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate (PubChem CID 11597226) has the molecular formula C19H19N3O7S and a molecular weight of 433.44 g/mol. Its IUPAC name is methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate
PubChem CID11597226
Molecular FormulaC19H19N3O7S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC Namemethyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate
SMILESCOC(=O)CN1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O
InChIInChI=1S/C19H19N3O7S/c1-11-16-17(19(25)22(18(16)24)10-15(23)28-2)13-9-12(3-4-14(13)20-11)30(26,27)21-5-7-29-8-6-21/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCQINRWDKHIPMBY-UHFFFAOYSA-N
XLogP0.33
TPSA123.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
The IUPAC name of methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate (CID 11597226) is methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate is COC(=O)CN1C(=O)c2c(C)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O.
What is the InChIKey of methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
The InChIKey is CQINRWDKHIPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7S/c1-11-16-17(19(25)22(18(16)24)10-15(23)28-2)13-9-12(3-4-14(13)20-11)30(26,27)21-5-7-29-8-6-21/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate?
methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate has a molecular weight of 433.44 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)acetate is sourced from PubChem (CID 11597226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).