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

C19H16N2O4 — CID 139661715

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C19H16N2O4/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/h1-9,13H,10-11H2,(H,20,23)(H,21,22)
InChIKeyWUHXDDKKHMWXPX-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.08
Rot. Bonds2

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

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate (PubChem CID 139661715) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate
PubChem CID139661715
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C19H16N2O4/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/h1-9,13H,10-11H2,(H,20,23)(H,21,22)
InChIKeyWUHXDDKKHMWXPX-UHFFFAOYSA-N
XLogP3.08
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.08
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-phenylcarbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate (CID 139661715) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate 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-phenylcarbamate?
The InChIKey is WUHXDDKKHMWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/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/h1-9,13H,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-phenylcarbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-phenylcarbamate has a molecular weight of 336.35 g/mol, XLogP of 3.08, 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-phenylcarbamate is sourced from PubChem (CID 139661715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).