ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate

C20H16N2O2 — CID 11652603

IUPACethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c3nc(-c4ccccc4)ccc3c12
InChIInChI=1S/C20H16N2O2/c1-2-24-20(23)15-9-6-10-17-18(15)14-11-12-16(21-19(14)22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,21,22)
InChIKeySZJDBCBOFLVTLV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.56
Rot. Bonds3

About ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate

ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate (PubChem CID 11652603) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate
PubChem CID11652603
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Nameethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate
SMILESCCOC(=O)c1cccc2[nH]c3nc(-c4ccccc4)ccc3c12
InChIInChI=1S/C20H16N2O2/c1-2-24-20(23)15-9-6-10-17-18(15)14-11-12-16(21-19(14)22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,21,22)
InChIKeySZJDBCBOFLVTLV-UHFFFAOYSA-N
XLogP4.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 9H-pyrimido[4,5-b]indole-5-carboxylate
CID 175816766
ethyl 2-amino-6-phenylpyridine-3-carboxylate
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ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
ethyl 4-methyl-2-phenyl-1H-indole-3-carboxylate
CID 138982192
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
ethyl chrysene-1-carboxylate
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ethyl dibenzoselenophene-1-carboxylate
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ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
ethyl 2-[2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136685506
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate (CID 11652603) is ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate is CCOC(=O)c1cccc2[nH]c3nc(-c4ccccc4)ccc3c12.
What is the InChIKey of ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate?
The InChIKey is SZJDBCBOFLVTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-24-20(23)15-9-6-10-17-18(15)14-11-12-16(21-19(14)22-17)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate?
ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-9H-pyrido[2,3-b]indole-5-carboxylate is sourced from PubChem (CID 11652603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).