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

C16H18N2O4 — CID 139661721

IUPAC(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C16H18N2O4/c1-9(2)17-16(20)22-10-7-12-11-3-6-15(19)18-13(11)4-5-14(12)21-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGADKTJYROIRYQW-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.97
Rot. Bonds2

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

(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate (PubChem CID 139661721) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate
PubChem CID139661721
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1COc2ccc3[nH]c(=O)ccc3c2C1
InChIInChI=1S/C16H18N2O4/c1-9(2)17-16(20)22-10-7-12-11-3-6-15(19)18-13(11)4-5-14(12)21-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGADKTJYROIRYQW-UHFFFAOYSA-N
XLogP1.97
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.97
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-propan-2-ylcarbamate?
The IUPAC name of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate (CID 139661721) is (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate is CC(C)NC(=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-propan-2-ylcarbamate?
The InChIKey is GADKTJYROIRYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-9(2)17-16(20)22-10-7-12-11-3-6-15(19)18-13(11)4-5-14(12)21-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of (8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate?
(8-oxo-1,2,3,7-tetrahydropyrano[3,2-f]quinolin-2-yl) N-propan-2-ylcarbamate has a molecular weight of 302.33 g/mol, XLogP of 1.97, 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-propan-2-ylcarbamate is sourced from PubChem (CID 139661721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).