2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide

C17H20N2O3 — CID 136544168

IUPAC2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCC(C)N(C(=O)c1cc2ccccc2[nH]c1=O)C1CCOC1
InChIInChI=1S/C17H20N2O3/c1-11(2)19(13-7-8-22-10-13)17(21)14-9-12-5-3-4-6-15(12)18-16(14)20/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyCALGKSXMPBTJGD-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.17
Rot. Bonds3

About 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide

2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide (PubChem CID 136544168) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide
PubChem CID136544168
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide
SMILESCC(C)N(C(=O)c1cc2ccccc2[nH]c1=O)C1CCOC1
InChIInChI=1S/C17H20N2O3/c1-11(2)19(13-7-8-22-10-13)17(21)14-9-12-5-3-4-6-15(12)18-16(14)20/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyCALGKSXMPBTJGD-UHFFFAOYSA-N
XLogP2.17
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide (CID 136544168) is 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide is CC(C)N(C(=O)c1cc2ccccc2[nH]c1=O)C1CCOC1.
What is the InChIKey of 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide?
The InChIKey is CALGKSXMPBTJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)19(13-7-8-22-10-13)17(21)14-9-12-5-3-4-6-15(12)18-16(14)20/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide?
2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-3-yl)-N-propan-2-yl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 136544168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).