methyl 4-(quinolin-8-ylcarbamoyl)benzoate

C18H14N2O3 — CID 6490173

IUPACmethyl 4-(quinolin-8-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C18H14N2O3/c1-23-18(22)14-9-7-13(8-10-14)17(21)20-15-6-2-4-12-5-3-11-19-16(12)15/h2-11H,1H3,(H,20,21)
InChIKeyWQIVVUSDITZJQS-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.27
Rot. Bonds3

About methyl 4-(quinolin-8-ylcarbamoyl)benzoate

methyl 4-(quinolin-8-ylcarbamoyl)benzoate (PubChem CID 6490173) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-(quinolin-8-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(quinolin-8-ylcarbamoyl)benzoate
PubChem CID6490173
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 4-(quinolin-8-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C18H14N2O3/c1-23-18(22)14-9-7-13(8-10-14)17(21)20-15-6-2-4-12-5-3-11-19-16(12)15/h2-11H,1H3,(H,20,21)
InChIKeyWQIVVUSDITZJQS-UHFFFAOYSA-N
XLogP3.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(quinolin-8-ylcarbamoyl)benzoate?
The IUPAC name of methyl 4-(quinolin-8-ylcarbamoyl)benzoate (CID 6490173) is methyl 4-(quinolin-8-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 4-(quinolin-8-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 4-(quinolin-8-ylcarbamoyl)benzoate is COC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of methyl 4-(quinolin-8-ylcarbamoyl)benzoate?
The InChIKey is WQIVVUSDITZJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-18(22)14-9-7-13(8-10-14)17(21)20-15-6-2-4-12-5-3-11-19-16(12)15/h2-11H,1H3,(H,20,21).
What are the key properties of methyl 4-(quinolin-8-ylcarbamoyl)benzoate?
methyl 4-(quinolin-8-ylcarbamoyl)benzoate has a molecular weight of 306.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(quinolin-8-ylcarbamoyl)benzoate is sourced from PubChem (CID 6490173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).