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

C17H20N2O4 — CID 139661718

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C17H20N2O4/c1-3-8-19(2)17(21)23-11-9-13-12-4-7-16(20)18-14(12)5-6-15(13)22-10-11/h4-7,11H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyNRYNZQLEAIJWQM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.31
Rot. Bonds3

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

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate (PubChem CID 139661718) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate
PubChem CID139661718
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C17H20N2O4/c1-3-8-19(2)17(21)23-11-9-13-12-4-7-16(20)18-14(12)5-6-15(13)22-10-11/h4-7,11H,3,8-10H2,1-2H3,(H,18,20)
InChIKeyNRYNZQLEAIJWQM-UHFFFAOYSA-N
XLogP2.31
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-methyl-N-propylcarbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate (CID 139661718) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate is CCCN(C)C(=O)OC1COc2ccc3[nH]c(=O)ccc3c2C1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate?
The InChIKey is NRYNZQLEAIJWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-8-19(2)17(21)23-11-9-13-12-4-7-16(20)18-14(12)5-6-15(13)22-10-11/h4-7,11H,3,8-10H2,1-2H3,(H,18,20).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-methyl-N-propylcarbamate has a molecular weight of 316.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 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-methyl-N-propylcarbamate is sourced from PubChem (CID 139661718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).