2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine

C23H22F2N4O — CID 59239023

IUPAC2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine
SMILESCOc1c2c(cc3c4cc(F)ccc4n(CCN)c13)c1cc(F)ccc1n2CCN
InChIInChI=1S/C23H22F2N4O/c1-30-23-21-17(15-10-13(24)2-4-19(15)28(21)8-6-26)12-18-16-11-14(25)3-5-20(16)29(9-7-27)22(18)23/h2-5,10-12H,6-9,26-27H2,1H3
InChIKeyXMHXGYWYEVYVMC-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.11
Rot. Bonds5

About 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine

2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine (PubChem CID 59239023) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine
PubChem CID59239023
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine
SMILESCOc1c2c(cc3c4cc(F)ccc4n(CCN)c13)c1cc(F)ccc1n2CCN
InChIInChI=1S/C23H22F2N4O/c1-30-23-21-17(15-10-13(24)2-4-19(15)28(21)8-6-26)12-18-16-11-14(25)3-5-20(16)29(9-7-27)22(18)23/h2-5,10-12H,6-9,26-27H2,1H3
InChIKeyXMHXGYWYEVYVMC-UHFFFAOYSA-N
XLogP4.11
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
The IUPAC name of 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine (CID 59239023) is 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
The canonical SMILES for 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine is COc1c2c(cc3c4cc(F)ccc4n(CCN)c13)c1cc(F)ccc1n2CCN.
What is the InChIKey of 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
The InChIKey is XMHXGYWYEVYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-30-23-21-17(15-10-13(24)2-4-19(15)28(21)8-6-26)12-18-16-11-14(25)3-5-20(16)29(9-7-27)22(18)23/h2-5,10-12H,6-9,26-27H2,1H3.
What are the key properties of 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine?
2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine has a molecular weight of 408.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2,10-difluoro-6-methoxyindolo[2,3-b]carbazol-7-yl]ethanamine is sourced from PubChem (CID 59239023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).