1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea

C18H17N3O — CID 53319755

IUPAC1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C18H17N3O/c1-12-6-5-7-14(10-12)20-18(22)21-17-11-13(2)19-16-9-4-3-8-15(16)17/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyDOWRGPZCQNQNQM-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.50
Rot. Bonds2

About 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea

1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea (PubChem CID 53319755) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea
PubChem CID53319755
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1
InChIInChI=1S/C18H17N3O/c1-12-6-5-7-14(10-12)20-18(22)21-17-11-13(2)19-16-9-4-3-8-15(16)17/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyDOWRGPZCQNQNQM-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

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Gsk163090
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4-Amino-2-methylquinoline
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2-Methylquinolin-6-amine
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Aminoquinuride
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1-Acridinamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea (CID 53319755) is 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea is Cc1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea?
The InChIKey is DOWRGPZCQNQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-6-5-7-14(10-12)20-18(22)21-17-11-13(2)19-16-9-4-3-8-15(16)17/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea?
1-(3-methylphenyl)-3-(2-methylquinolin-4-yl)urea 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-methylphenyl)-3-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 53319755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).