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

C18H17N3O — CID 2812760

IUPAC1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H17N3O/c1-12-9-13(2)11-15(10-12)19-18(22)21-17-8-7-14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyXELVSUXFXGKJKR-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.50
Rot. Bonds2

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

1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea (PubChem CID 2812760) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea
PubChem CID2812760
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H17N3O/c1-12-9-13(2)11-15(10-12)19-18(22)21-17-8-7-14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyXELVSUXFXGKJKR-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea (CID 2812760) is 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea is Cc1cc(C)cc(NC(=O)Nc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea?
The InChIKey is XELVSUXFXGKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-9-13(2)11-15(10-12)19-18(22)21-17-8-7-14-5-3-4-6-16(14)20-17/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-3-quinolin-2-ylurea?
1-(3,5-dimethylphenyl)-3-quinolin-2-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-(3,5-dimethylphenyl)-3-quinolin-2-ylurea is sourced from PubChem (CID 2812760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).