ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate

C20H16N2O2 — CID 101103076

IUPACethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate
SMILESCCOC(=O)n1c2ccccc2c2cc(-c3ccccc3)cnc21
InChIInChI=1S/C20H16N2O2/c1-2-24-20(23)22-18-11-7-6-10-16(18)17-12-15(13-21-19(17)22)14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKeyJOWQOGCHIFBCHY-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.86
Rot. Bonds2

About ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate

ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate (PubChem CID 101103076) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate
PubChem CID101103076
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Nameethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate
SMILESCCOC(=O)n1c2ccccc2c2cc(-c3ccccc3)cnc21
InChIInChI=1S/C20H16N2O2/c1-2-24-20(23)22-18-11-7-6-10-16(18)17-12-15(13-21-19(17)22)14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKeyJOWQOGCHIFBCHY-UHFFFAOYSA-N
XLogP4.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-[9-(3-methoxypropyl)-9H-carbazol-2-yl]pyrimidine-2,4-diamine
CID 6914626
ethyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
CID 355090
6-[4-(Piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 73669300
Mls000766143
CID 288286
1-Hydroxy-6-[1-(3-Methoxypropyl)-1h-Pyrrolo[2,3-B]pyridin-5-Yl]-4-Phenylpyridin-2(1h)-One
CID 70679296
3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-oxazolidin-2-one
CID 11092112
6-[4-(Dimethylamino)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76310216
6-(4-Fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76313907
6-Phenylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 76317440
6-[4-(Pyrrolidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxamide
CID 76335635
2-Methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline
CID 118444689
cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203955

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate?
The IUPAC name of ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate (CID 101103076) is ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate.
What is the SMILES notation for ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate?
The canonical SMILES for ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate is CCOC(=O)n1c2ccccc2c2cc(-c3ccccc3)cnc21.
What is the InChIKey of ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate?
The InChIKey is JOWQOGCHIFBCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-24-20(23)22-18-11-7-6-10-16(18)17-12-15(13-21-19(17)22)14-8-4-3-5-9-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate?
ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylpyrido[2,3-b]indole-9-carboxylate is sourced from PubChem (CID 101103076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).