(7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate

C26H24N2O6 — CID 16603170

IUPAC(7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
SMILESCOc1ccc2c(c1)c(C(=O)OCc1cc(=O)oc3cc(NC(C)=O)ccc13)c(C)n2C1CC1
InChIInChI=1S/C26H24N2O6/c1-14-25(21-12-19(32-3)7-9-22(21)28(14)18-5-6-18)26(31)33-13-16-10-24(30)34-23-11-17(27-15(2)29)4-8-20(16)23/h4,7-12,18H,5-6,13H2,1-3H3,(H,27,29)
InChIKeyMNSKKICLEAQDAR-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.72
Rot. Bonds6

About (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate

(7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate (PubChem CID 16603170) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Name(7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
PubChem CID16603170
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name(7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
SMILESCOc1ccc2c(c1)c(C(=O)OCc1cc(=O)oc3cc(NC(C)=O)ccc13)c(C)n2C1CC1
InChIInChI=1S/C26H24N2O6/c1-14-25(21-12-19(32-3)7-9-22(21)28(14)18-5-6-18)26(31)33-13-16-10-24(30)34-23-11-17(27-15(2)29)4-8-20(16)23/h4,7-12,18H,5-6,13H2,1-3H3,(H,27,29)
InChIKeyMNSKKICLEAQDAR-UHFFFAOYSA-N
XLogP4.72
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-oxobutan-2-yl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18281159
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 18076997
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 16603169
(7-methoxy-2-oxochromen-4-yl)methyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 167898326
(7-acetamido-2-oxochromen-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55306248
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-acetamido-2-oxochromen-4-yl)methyl 4-tert-butylbenzoate
CID 46790353
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CID 42920985
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
(7-acetamido-2-oxochromen-4-yl)methyl 3,4-difluorobenzoate
CID 46816359
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 16506936
(7-acetamido-2-oxochromen-4-yl)methyl 2-bromo-5-fluorobenzoate
CID 16565840

Frequently Asked Questions

What is the IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
The IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate (CID 16603170) is (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate.
What is the SMILES notation for (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
The canonical SMILES for (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate is COc1ccc2c(c1)c(C(=O)OCc1cc(=O)oc3cc(NC(C)=O)ccc13)c(C)n2C1CC1.
What is the InChIKey of (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
The InChIKey is MNSKKICLEAQDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-14-25(21-12-19(32-3)7-9-22(21)28(14)18-5-6-18)26(31)33-13-16-10-24(30)34-23-11-17(27-15(2)29)4-8-20(16)23/h4,7-12,18H,5-6,13H2,1-3H3,(H,27,29).
What are the key properties of (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate?
(7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetamido-2-oxochromen-4-yl)methyl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 16603170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).