(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate

C18H20N2O5 — CID 139661724

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate
SMILESO=C(OC1COc2ccc3[nH]c(=O)ccc3c2C1)N1CCC(O)CC1
InChIInChI=1S/C18H20N2O5/c21-11-5-7-20(8-6-11)18(23)25-12-9-14-13-1-4-17(22)19-15(13)2-3-16(14)24-10-12/h1-4,11-12,21H,5-10H2,(H,19,22)
InChIKeyQNGIKBZRKWGJLK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.42
Rot. Bonds1

About (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate (PubChem CID 139661724) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate
PubChem CID139661724
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate
SMILESO=C(OC1COc2ccc3[nH]c(=O)ccc3c2C1)N1CCC(O)CC1
InChIInChI=1S/C18H20N2O5/c21-11-5-7-20(8-6-11)18(23)25-12-9-14-13-1-4-17(22)19-15(13)2-3-16(14)24-10-12/h1-4,11-12,21H,5-10H2,(H,19,22)
InChIKeyQNGIKBZRKWGJLK-UHFFFAOYSA-N
XLogP1.42
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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) 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate (CID 139661724) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate is O=C(OC1COc2ccc3[nH]c(=O)ccc3c2C1)N1CCC(O)CC1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate?
The InChIKey is QNGIKBZRKWGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-11-5-7-20(8-6-11)18(23)25-12-9-14-13-1-4-17(22)19-15(13)2-3-16(14)24-10-12/h1-4,11-12,21H,5-10H2,(H,19,22).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) 4-hydroxypiperidine-1-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 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) 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 139661724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).