phenyl pyrido[3,4-b]indole-9-carboxylate

C18H12N2O2 — CID 86206232

IUPACphenyl pyrido[3,4-b]indole-9-carboxylate
SMILESO=C(Oc1ccccc1)n1c2ccccc2c2ccncc21
InChIInChI=1S/C18H12N2O2/c21-18(22-13-6-2-1-3-7-13)20-16-9-5-4-8-14(16)15-10-11-19-12-17(15)20/h1-12H
InChIKeyJRXKERAEOGBSOG-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.24
Rot. Bonds1

About phenyl pyrido[3,4-b]indole-9-carboxylate

phenyl pyrido[3,4-b]indole-9-carboxylate (PubChem CID 86206232) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is phenyl pyrido[3,4-b]indole-9-carboxylate.

Molecular Properties

Compound Namephenyl pyrido[3,4-b]indole-9-carboxylate
PubChem CID86206232
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Namephenyl pyrido[3,4-b]indole-9-carboxylate
SMILESO=C(Oc1ccccc1)n1c2ccccc2c2ccncc21
InChIInChI=1S/C18H12N2O2/c21-18(22-13-6-2-1-3-7-13)20-16-9-5-4-8-14(16)15-10-11-19-12-17(15)20/h1-12H
InChIKeyJRXKERAEOGBSOG-UHFFFAOYSA-N
XLogP4.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one
CID 174549736
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
methyl 6-methylpyrido[3,4-b]indole-9-carboxylate
CID 161038199
3-carbazol-9-ylpyridine-4-carboxylic acid
CID 175351779
S-pyrrolidin-1-yl 5-oxobenzo[b][1,7]naphthyridine-10-carbothioate
CID 102126969
carbazole-9-carbonyl fluoride
CID 45082000
S-piperidin-1-yl 5-oxobenzo[b][1,7]naphthyridine-10-carbothioate
CID 102126970
phenyl 3-(cyanomethyl)-2-phenoxycarbonyloxyindole-1-carboxylate
CID 118911731
[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone
CID 139474935
ethenyl carbazole-9-carboxylate
CID 21059227
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348

Frequently Asked Questions

What is the IUPAC name of phenyl pyrido[3,4-b]indole-9-carboxylate?
The IUPAC name of phenyl pyrido[3,4-b]indole-9-carboxylate (CID 86206232) is phenyl pyrido[3,4-b]indole-9-carboxylate.
What is the SMILES notation for phenyl pyrido[3,4-b]indole-9-carboxylate?
The canonical SMILES for phenyl pyrido[3,4-b]indole-9-carboxylate is O=C(Oc1ccccc1)n1c2ccccc2c2ccncc21.
What is the InChIKey of phenyl pyrido[3,4-b]indole-9-carboxylate?
The InChIKey is JRXKERAEOGBSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18(22-13-6-2-1-3-7-13)20-16-9-5-4-8-14(16)15-10-11-19-12-17(15)20/h1-12H.
What are the key properties of phenyl pyrido[3,4-b]indole-9-carboxylate?
phenyl pyrido[3,4-b]indole-9-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl pyrido[3,4-b]indole-9-carboxylate is sourced from PubChem (CID 86206232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).