(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate

C19H22N2O4 — CID 139661719

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C19H22N2O4/c22-18-9-6-14-15-10-13(11-24-17(15)8-7-16(14)21-18)25-19(23)20-12-4-2-1-3-5-12/h6-9,12-13H,1-5,10-11H2,(H,20,23)(H,21,22)
InChIKeyOFDQULPTDFOMPS-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.89
Rot. Bonds2

About (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate (PubChem CID 139661719) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate
PubChem CID139661719
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C19H22N2O4/c22-18-9-6-14-15-10-13(11-24-17(15)8-7-16(14)21-18)25-19(23)20-12-4-2-1-3-5-12/h6-9,12-13H,1-5,10-11H2,(H,20,23)(H,21,22)
InChIKeyOFDQULPTDFOMPS-UHFFFAOYSA-N
XLogP2.89
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate (CID 139661719) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate is O=C(NC1CCCCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate?
The InChIKey is OFDQULPTDFOMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18-9-6-14-15-10-13(11-24-17(15)8-7-16(14)21-18)25-19(23)20-12-4-2-1-3-5-12/h6-9,12-13H,1-5,10-11H2,(H,20,23)(H,21,22).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate has a molecular weight of 342.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-cyclohexylcarbamate is sourced from PubChem (CID 139661719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).