1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea

C18H17N3O — CID 48742637

IUPAC1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C18H17N3O/c1-12-8-9-13(2)16(11-12)21-18(22)20-15-7-3-5-14-6-4-10-19-17(14)15/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyRXJBLQAPHDKHIV-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.50
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea

1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea (PubChem CID 48742637) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
PubChem CID48742637
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
SMILESCc1ccc(C)c(NC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C18H17N3O/c1-12-8-9-13(2)16(11-12)21-18(22)20-15-7-3-5-14-6-4-10-19-17(14)15/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyRXJBLQAPHDKHIV-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061835
1-propyl-3-quinolin-8-ylurea
CID 13078451
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
1-pyridin-2-yl-3-quinolin-8-ylurea
CID 110491789
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
CID 8781732

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea (CID 48742637) is 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea is Cc1ccc(C)c(NC(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea?
The InChIKey is RXJBLQAPHDKHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-8-9-13(2)16(11-12)21-18(22)20-15-7-3-5-14-6-4-10-19-17(14)15/h3-11H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea?
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea has a molecular weight of 291.35 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea is sourced from PubChem (CID 48742637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).