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

C18H20N2O4 — CID 139661722

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate
SMILESO=C(OC1COc2ccc3[nH]c(=O)ccc3c2C1)N1CCCCC1
InChIInChI=1S/C18H20N2O4/c21-17-7-4-13-14-10-12(11-23-16(14)6-5-15(13)19-17)24-18(22)20-8-2-1-3-9-20/h4-7,12H,1-3,8-11H2,(H,19,21)
InChIKeyVPTDZMSBYZMKLB-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.45
Rot. Bonds1

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

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate (PubChem CID 139661722) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate
PubChem CID139661722
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate
SMILESO=C(OC1COc2ccc3[nH]c(=O)ccc3c2C1)N1CCCCC1
InChIInChI=1S/C18H20N2O4/c21-17-7-4-13-14-10-12(11-23-16(14)6-5-15(13)19-17)24-18(22)20-8-2-1-3-9-20/h4-7,12H,1-3,8-11H2,(H,19,21)
InChIKeyVPTDZMSBYZMKLB-UHFFFAOYSA-N
XLogP2.45
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.45
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) piperidine-1-carboxylate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate (CID 139661722) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate is O=C(OC1COc2ccc3[nH]c(=O)ccc3c2C1)N1CCCCC1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate?
The InChIKey is VPTDZMSBYZMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17-7-4-13-14-10-12(11-23-16(14)6-5-15(13)19-17)24-18(22)20-8-2-1-3-9-20/h4-7,12H,1-3,8-11H2,(H,19,21).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) piperidine-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.45, 1 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) piperidine-1-carboxylate is sourced from PubChem (CID 139661722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).