(2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate

C18H16N2O4 — CID 57045387

IUPAC(2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate
SMILESCOc1cc(OC)c2cccc(OC(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C18H16N2O4/c1-22-15-11-16(23-2)20-17-13(15)9-6-10-14(17)24-18(21)19-12-7-4-3-5-8-12/h3-11H,1-2H3,(H,19,21)
InChIKeyZDXXOYLKEXXJED-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.86
Rot. Bonds4

About (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate

(2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate (PubChem CID 57045387) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate
PubChem CID57045387
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate
SMILESCOc1cc(OC)c2cccc(OC(=O)Nc3ccccc3)c2n1
InChIInChI=1S/C18H16N2O4/c1-22-15-11-16(23-2)20-17-13(15)9-6-10-14(17)24-18(21)19-12-7-4-3-5-8-12/h3-11H,1-2H3,(H,19,21)
InChIKeyZDXXOYLKEXXJED-UHFFFAOYSA-N
XLogP3.86
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate?
The IUPAC name of (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate (CID 57045387) is (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate.
What is the SMILES notation for (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate?
The canonical SMILES for (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate is COc1cc(OC)c2cccc(OC(=O)Nc3ccccc3)c2n1.
What is the InChIKey of (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate?
The InChIKey is ZDXXOYLKEXXJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-15-11-16(23-2)20-17-13(15)9-6-10-14(17)24-18(21)19-12-7-4-3-5-8-12/h3-11H,1-2H3,(H,19,21).
What are the key properties of (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate?
(2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate has a molecular weight of 324.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyquinolin-8-yl) N-phenylcarbamate is sourced from PubChem (CID 57045387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).