methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate

C17H16N2O2 — CID 162624762

IUPACmethyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1C)[nH]c1c(C3CC3)cccc12
InChIInChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyPMYXVYACIJANSL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.69
Rot. Bonds2

About methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate

methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate (PubChem CID 162624762) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate
PubChem CID162624762
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1C)[nH]c1c(C3CC3)cccc12
InChIInChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyPMYXVYACIJANSL-UHFFFAOYSA-N
XLogP3.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate (CID 162624762) is methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate is COC(=O)c1cc2c(nc1C)[nH]c1c(C3CC3)cccc12.
What is the InChIKey of methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate?
The InChIKey is PMYXVYACIJANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19).
What are the key properties of methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate?
methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 162624762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).