1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea

C18H18N4O — CID 54295225

IUPAC1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea
SMILESCc1cnc2c(N)cccc2c1N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N4O/c1-12-11-20-16-14(9-6-10-15(16)19)17(12)22(2)18(23)21-13-7-4-3-5-8-13/h3-11H,19H2,1-2H3,(H,21,23)
InChIKeySAILANVUGKIGHS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.79
Rot. Bonds2

About 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea

1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea (PubChem CID 54295225) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea
PubChem CID54295225
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea
SMILESCc1cnc2c(N)cccc2c1N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H18N4O/c1-12-11-20-16-14(9-6-10-15(16)19)17(12)22(2)18(23)21-13-7-4-3-5-8-13/h3-11H,19H2,1-2H3,(H,21,23)
InChIKeySAILANVUGKIGHS-UHFFFAOYSA-N
XLogP3.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea?
The IUPAC name of 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea (CID 54295225) is 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea.
What is the SMILES notation for 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea?
The canonical SMILES for 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea is Cc1cnc2c(N)cccc2c1N(C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea?
The InChIKey is SAILANVUGKIGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-11-20-16-14(9-6-10-15(16)19)17(12)22(2)18(23)21-13-7-4-3-5-8-13/h3-11H,19H2,1-2H3,(H,21,23).
What are the key properties of 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea?
1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea has a molecular weight of 306.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-amino-3-methylquinolin-4-yl)-1-methyl-3-phenylurea is sourced from PubChem (CID 54295225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).