tert-butyl pyrido[2,3-b]indole-9-carboxylate

C16H16N2O2 — CID 141177264

IUPACtert-butyl pyrido[2,3-b]indole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccccc2c2cccnc21
InChIInChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-13-9-5-4-7-11(13)12-8-6-10-17-14(12)18/h4-10H,1-3H3
InChIKeyXWOFEEXYCUYETH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.97
Rot. Bonds

About tert-butyl pyrido[2,3-b]indole-9-carboxylate

tert-butyl pyrido[2,3-b]indole-9-carboxylate (PubChem CID 141177264) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl pyrido[2,3-b]indole-9-carboxylate.

Molecular Properties

Compound Nametert-butyl pyrido[2,3-b]indole-9-carboxylate
PubChem CID141177264
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nametert-butyl pyrido[2,3-b]indole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccccc2c2cccnc21
InChIInChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-13-9-5-4-7-11(13)12-8-6-10-17-14(12)18/h4-10H,1-3H3
InChIKeyXWOFEEXYCUYETH-UHFFFAOYSA-N
XLogP3.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-10-carboxylate
CID 122202526
tert-butyl 2,3-dichloroindole-1-carboxylate
CID 122227437
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
CID 162263594
2-[9-[(2-methylpropan-2-yl)oxycarbonyl]pyrido[3,4-b]indol-3-yl]acetic acid
CID 174682016
tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
CID 133054826
tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
CID 84819280
tert-butyl 3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 11132071
tert-butyl 3-(aminomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 71748494
[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-2-ylpyrrolo[2,3-b]pyridin-2-yl]boronic acid
CID 140889370
tert-butyl 3-hexylpyrido[3,4-b]indole-9-carboxylate
CID 135059896
tert-butyl 2-bromo-3-carbamoylindole-1-carboxylate
CID 175318804
tert-butyl 13-methyl-12,14-dioxo-3,5,13,21,23-pentazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-3-carboxylate
CID 13006221

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrido[2,3-b]indole-9-carboxylate?
The IUPAC name of tert-butyl pyrido[2,3-b]indole-9-carboxylate (CID 141177264) is tert-butyl pyrido[2,3-b]indole-9-carboxylate.
What is the SMILES notation for tert-butyl pyrido[2,3-b]indole-9-carboxylate?
The canonical SMILES for tert-butyl pyrido[2,3-b]indole-9-carboxylate is CC(C)(C)OC(=O)n1c2ccccc2c2cccnc21.
What is the InChIKey of tert-butyl pyrido[2,3-b]indole-9-carboxylate?
The InChIKey is XWOFEEXYCUYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-13-9-5-4-7-11(13)12-8-6-10-17-14(12)18/h4-10H,1-3H3.
What are the key properties of tert-butyl pyrido[2,3-b]indole-9-carboxylate?
tert-butyl pyrido[2,3-b]indole-9-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrido[2,3-b]indole-9-carboxylate is sourced from PubChem (CID 141177264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).