1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea

C25H25N5O — CID 10287711

IUPAC1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea
SMILESO=C(Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C25H25N5O/c31-25(27-19-4-8-22-18(14-19)11-12-26-22)28-20-5-9-23-17(13-20)3-10-24(29-23)30-15-16-1-6-21(30)7-2-16/h3-5,8-14,16,21,26H,1-2,6-7,15H2,(H2,27,28,31)
InChIKeyFOUIVQRXHKTZTL-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.74
Rot. Bonds3

About 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea

1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea (PubChem CID 10287711) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea
PubChem CID10287711
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea
SMILESO=C(Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C25H25N5O/c31-25(27-19-4-8-22-18(14-19)11-12-26-22)28-20-5-9-23-17(13-20)3-10-24(29-23)30-15-16-1-6-21(30)7-2-16/h3-5,8-14,16,21,26H,1-2,6-7,15H2,(H2,27,28,31)
InChIKeyFOUIVQRXHKTZTL-UHFFFAOYSA-N
XLogP5.74
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea?
The IUPAC name of 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea (CID 10287711) is 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea.
What is the SMILES notation for 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea?
The canonical SMILES for 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea is O=C(Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea?
The InChIKey is FOUIVQRXHKTZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25(27-19-4-8-22-18(14-19)11-12-26-22)28-20-5-9-23-17(13-20)3-10-24(29-23)30-15-16-1-6-21(30)7-2-16/h3-5,8-14,16,21,26H,1-2,6-7,15H2,(H2,27,28,31).
What are the key properties of 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea?
1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea has a molecular weight of 411.51 g/mol, XLogP of 5.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(1H-indol-5-yl)urea is sourced from PubChem (CID 10287711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).