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

C18H21N3O4 — CID 139661738

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C18H21N3O4/c22-17-7-4-13-14-10-12(11-24-16(14)6-5-15(13)19-17)25-18(23)20-21-8-2-1-3-9-21/h4-7,12H,1-3,8-11H2,(H,19,22)(H,20,23)
InChIKeySEGFROBNYNRVPZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.96
Rot. Bonds2

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

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate (PubChem CID 139661738) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate
PubChem CID139661738
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate
SMILESO=C(NN1CCCCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C18H21N3O4/c22-17-7-4-13-14-10-12(11-24-16(14)6-5-15(13)19-17)25-18(23)20-21-8-2-1-3-9-21/h4-7,12H,1-3,8-11H2,(H,19,22)(H,20,23)
InChIKeySEGFROBNYNRVPZ-UHFFFAOYSA-N
XLogP1.96
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.96
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) N-piperidin-1-ylcarbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate (CID 139661738) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate is O=C(NN1CCCCC1)OC1COc2ccc3[nH]c(=O)ccc3c2C1.
What is the InChIKey of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate?
The InChIKey is SEGFROBNYNRVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-17-7-4-13-14-10-12(11-24-16(14)6-5-15(13)19-17)25-18(23)20-21-8-2-1-3-9-21/h4-7,12H,1-3,8-11H2,(H,19,22)(H,20,23).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-piperidin-1-ylcarbamate has a molecular weight of 343.38 g/mol, XLogP of 1.96, 2 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) N-piperidin-1-ylcarbamate is sourced from PubChem (CID 139661738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).