methyl 4-(quinoline-2-carbonylamino)benzoate

C18H14N2O3 — CID 7901210

IUPACmethyl 4-(quinoline-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H14N2O3/c1-23-18(22)13-6-9-14(10-7-13)19-17(21)16-11-8-12-4-2-3-5-15(12)20-16/h2-11H,1H3,(H,19,21)
InChIKeyLPUAYEGAERBUGI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.27
Rot. Bonds3

About methyl 4-(quinoline-2-carbonylamino)benzoate

methyl 4-(quinoline-2-carbonylamino)benzoate (PubChem CID 7901210) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-(quinoline-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(quinoline-2-carbonylamino)benzoate
PubChem CID7901210
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 4-(quinoline-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H14N2O3/c1-23-18(22)13-6-9-14(10-7-13)19-17(21)16-11-8-12-4-2-3-5-15(12)20-16/h2-11H,1H3,(H,19,21)
InChIKeyLPUAYEGAERBUGI-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-(quinoline-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-(quinoline-2-carbonylamino)benzoate (CID 7901210) is methyl 4-(quinoline-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(quinoline-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(quinoline-2-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of methyl 4-(quinoline-2-carbonylamino)benzoate?
The InChIKey is LPUAYEGAERBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-18(22)13-6-9-14(10-7-13)19-17(21)16-11-8-12-4-2-3-5-15(12)20-16/h2-11H,1H3,(H,19,21).
What are the key properties of methyl 4-(quinoline-2-carbonylamino)benzoate?
methyl 4-(quinoline-2-carbonylamino)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-(quinoline-2-carbonylamino)benzoate is sourced from PubChem (CID 7901210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).