quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate

C18H16N2O4 — CID 3333370

IUPACquinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C18H16N2O4/c1-22-13-8-9-14(16(11-13)23-2)20-18(21)24-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3,(H,20,21)
InChIKeyXBOSJWMCVPRIIZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.86
Rot. Bonds4

About quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate

quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate (PubChem CID 3333370) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate
PubChem CID3333370
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namequinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C18H16N2O4/c1-22-13-8-9-14(16(11-13)23-2)20-18(21)24-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3,(H,20,21)
InChIKeyXBOSJWMCVPRIIZ-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 quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate (CID 3333370) is quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate is COc1ccc(NC(=O)Oc2cccc3cccnc23)c(OC)c1.
What is the InChIKey of quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate?
The InChIKey is XBOSJWMCVPRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-13-8-9-14(16(11-13)23-2)20-18(21)24-15-7-3-5-12-6-4-10-19-17(12)15/h3-11H,1-2H3,(H,20,21).
What are the key properties of quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate?
quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate 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 quinolin-8-yl N-(2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 3333370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).