1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea

C23H19N3O2 — CID 108992618

IUPAC1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C23H19N3O2/c27-23(26-21-10-4-8-18-9-5-15-24-22(18)21)25-19-11-13-20(14-12-19)28-16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,25,26,27)
InChIKeySSXUSCMSDDPQBL-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.46
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea

1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea (PubChem CID 108992618) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
PubChem CID108992618
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C23H19N3O2/c27-23(26-21-10-4-8-18-9-5-15-24-22(18)21)25-19-11-13-20(14-12-19)28-16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,25,26,27)
InChIKeySSXUSCMSDDPQBL-UHFFFAOYSA-N
XLogP5.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
CID 69444328
1-(4-phenylmethoxyphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992099
1-(4-phenylmethoxyphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108992623
1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
CID 11509064
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea (CID 108992618) is 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea is O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea?
The InChIKey is SSXUSCMSDDPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(26-21-10-4-8-18-9-5-15-24-22(18)21)25-19-11-13-20(14-12-19)28-16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,25,26,27).
What are the key properties of 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea?
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea has a molecular weight of 369.42 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 108992618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).