ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate

C17H16N2O2 — CID 138968962

IUPACethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc2c1[nH]c1ccccc12
InChIInChI=1S/C17H16N2O2/c1-2-21-17(20)12-9-14(10-7-8-10)19-15-11-5-3-4-6-13(11)18-16(12)15/h3-6,9-10,18H,2,7-8H2,1H3
InChIKeyGXCIYGHEHDDUEM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.77
Rot. Bonds3

About ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate

ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 138968962) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID138968962
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)nc2c1[nH]c1ccccc12
InChIInChI=1S/C17H16N2O2/c1-2-21-17(20)12-9-14(10-7-8-10)19-15-11-5-3-4-6-13(11)18-16(12)15/h3-6,9-10,18H,2,7-8H2,1H3
InChIKeyGXCIYGHEHDDUEM-UHFFFAOYSA-N
XLogP3.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272509
methyl 2-formyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 141272491
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 2-cyclopropyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 102028571
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-cyclopropylbenzoate
CID 118105330
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
ethyl 3-cyano-6-cyclopropyl-2-(2-methylanilino)pyridine-4-carboxylate
CID 162523620
naphthalen-1-ylmethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776570
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
CID 116533815
ethyl 4-amino-2-cyclopropylquinoline-3-carboxylate
CID 174944761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate (CID 138968962) is ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate is CCOC(=O)c1cc(C2CC2)nc2c1[nH]c1ccccc12.
What is the InChIKey of ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is GXCIYGHEHDDUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-17(20)12-9-14(10-7-8-10)19-15-11-5-3-4-6-13(11)18-16(12)15/h3-6,9-10,18H,2,7-8H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate?
ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 138968962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).