N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide

C18H20N2O3 — CID 166309711

IUPACN-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]c(=O)ccc23)CCOC1C1CC1
InChIInChI=1S/C18H20N2O3/c1-18(9-10-23-16(18)11-5-6-11)20-17(22)13-3-2-4-14-12(13)7-8-15(21)19-14/h2-4,7-8,11,16H,5-6,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyWHOYOSNBNRYUTF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.22
Rot. Bonds3

About N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide

N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide (PubChem CID 166309711) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide
PubChem CID166309711
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]c(=O)ccc23)CCOC1C1CC1
InChIInChI=1S/C18H20N2O3/c1-18(9-10-23-16(18)11-5-6-11)20-17(22)13-3-2-4-14-12(13)7-8-15(21)19-14/h2-4,7-8,11,16H,5-6,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyWHOYOSNBNRYUTF-UHFFFAOYSA-N
XLogP2.22
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide (CID 166309711) is N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide is CC1(NC(=O)c2cccc3[nH]c(=O)ccc23)CCOC1C1CC1.
What is the InChIKey of N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide?
The InChIKey is WHOYOSNBNRYUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(9-10-23-16(18)11-5-6-11)20-17(22)13-3-2-4-14-12(13)7-8-15(21)19-14/h2-4,7-8,11,16H,5-6,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide?
N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methyloxolan-3-yl)-2-oxo-1H-quinoline-5-carboxamide is sourced from PubChem (CID 166309711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).