1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea

C17H16N4O — CID 47032875

IUPAC1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
SMILESO=C(NCCc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C17H16N4O/c22-17(20-12-9-14-7-1-2-10-18-14)21-15-8-3-5-13-6-4-11-19-16(13)15/h1-8,10-11H,9,12H2,(H2,20,21,22)
InChIKeyFRWISRNRLNCGGH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea

1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea (PubChem CID 47032875) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
PubChem CID47032875
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
SMILESO=C(NCCc1ccccn1)Nc1cccc2cccnc12
InChIInChI=1S/C17H16N4O/c22-17(20-12-9-14-7-1-2-10-18-14)21-15-8-3-5-13-6-4-11-19-16(13)15/h1-8,10-11H,9,12H2,(H2,20,21,22)
InChIKeyFRWISRNRLNCGGH-UHFFFAOYSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-quinolin-8-ylurea
CID 13078451
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
prop-1-en-2-yl 3-(quinolin-8-ylcarbamoylamino)propanoate
CID 118422332
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111193893
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea (CID 47032875) is 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea is O=C(NCCc1ccccn1)Nc1cccc2cccnc12.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea?
The InChIKey is FRWISRNRLNCGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(20-12-9-14-7-1-2-10-18-14)21-15-8-3-5-13-6-4-11-19-16(13)15/h1-8,10-11H,9,12H2,(H2,20,21,22).
What are the key properties of 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea?
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea has a molecular weight of 292.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 47032875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).