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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(4-ethylphenyl)urea
CID 22018875
1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 10195014
N-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 10173167
1-acetyl-N-(1H-indol-5-yl)piperidine-4-carboxamide
CID 110744988
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
(E)-N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10173547
N-(1H-indol-5-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730749
2-(1H-indol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974701
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018944
N-(1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744978
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea
CID 155412355

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).