1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide

C19H24N4O4 — CID 10643016

IUPAC1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide
SMILESCC1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCOCC3)n2C)C1=O
InChIInChI=1S/C19H24N4O4/c1-12-11-23(12)14-10-16(24)17-13(18(14)25)9-15(21(17)2)19(26)20-3-4-22-5-7-27-8-6-22/h9-10,12H,3-8,11H2,1-2H3,(H,20,26)
InChIKeyBCMYVMAUWJBGTG-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.05
Rot. Bonds5

About 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide

1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide (PubChem CID 10643016) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide
PubChem CID10643016
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide
SMILESCC1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCOCC3)n2C)C1=O
InChIInChI=1S/C19H24N4O4/c1-12-11-23(12)14-10-16(24)17-13(18(14)25)9-15(21(17)2)19(26)20-3-4-22-5-7-27-8-6-22/h9-10,12H,3-8,11H2,1-2H3,(H,20,26)
InChIKeyBCMYVMAUWJBGTG-UHFFFAOYSA-N
XLogP0.05
TPSA83.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide?
The IUPAC name of 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide (CID 10643016) is 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide?
The canonical SMILES for 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide is CC1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCOCC3)n2C)C1=O.
What is the InChIKey of 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide?
The InChIKey is BCMYVMAUWJBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-12-11-23(12)14-10-16(24)17-13(18(14)25)9-15(21(17)2)19(26)20-3-4-22-5-7-27-8-6-22/h9-10,12H,3-8,11H2,1-2H3,(H,20,26).
What are the key properties of 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide?
1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylaziridin-1-yl)-N-(2-morpholin-4-ylethyl)-4,7-dioxoindole-2-carboxamide is sourced from PubChem (CID 10643016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).