2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide

C15H15ClN2O2 — CID 115769318

IUPAC2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
SMILESCC1(NC(=O)c2cc(Cl)nc3ccccc23)CCOC1
InChIInChI=1S/C15H15ClN2O2/c1-15(6-7-20-9-15)18-14(19)11-8-13(16)17-12-5-3-2-4-10(11)12/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyFQGLWTWRZWGFJB-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide

2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide (PubChem CID 115769318) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
PubChem CID115769318
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
SMILESCC1(NC(=O)c2cc(Cl)nc3ccccc23)CCOC1
InChIInChI=1S/C15H15ClN2O2/c1-15(6-7-20-9-15)18-14(19)11-8-13(16)17-12-5-3-2-4-10(11)12/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyFQGLWTWRZWGFJB-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
CID 62517076
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 115769327
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
2-hydrazinyl-N-(1-methylcyclopropyl)quinoline-4-carboxamide
CID 113486009
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-hydrazinyl-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688890
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide (CID 115769318) is 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide is CC1(NC(=O)c2cc(Cl)nc3ccccc23)CCOC1.
What is the InChIKey of 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide?
The InChIKey is FQGLWTWRZWGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(6-7-20-9-15)18-14(19)11-8-13(16)17-12-5-3-2-4-10(11)12/h2-5,8H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide?
2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 115769318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).