N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide

C13H9ClF4N2O — CID 103737695

IUPACN-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(Cl)c(NC(=O)C(F)(F)C(F)F)c2cccnc12
InChIInChI=1S/C13H9ClF4N2O/c1-6-5-8(14)10(7-3-2-4-19-9(6)7)20-12(21)13(17,18)11(15)16/h2-5,11H,1H3,(H,20,21)
InChIKeyGSODHTCSFLAKEG-UHFFFAOYSA-N
MW320.67 g/mol
LogP4.04
Rot. Bonds3

About N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide

N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103737695) has the molecular formula C13H9ClF4N2O and a molecular weight of 320.67 g/mol. Its IUPAC name is N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103737695
Molecular FormulaC13H9ClF4N2O
Molecular Weight320.67 g/mol
Exact Mass320.03
IUPAC NameN-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1cc(Cl)c(NC(=O)C(F)(F)C(F)F)c2cccnc12
InChIInChI=1S/C13H9ClF4N2O/c1-6-5-8(14)10(7-3-2-4-19-9(6)7)20-12(21)13(17,18)11(15)16/h2-5,11H,1H3,(H,20,21)
InChIKeyGSODHTCSFLAKEG-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.67
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732428
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 79024943
2-bromo-N-(6-chloro-8-methylquinolin-5-yl)butanamide
CID 55126113
N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113251859
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
CID 61155650
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
N-(6-chloro-8-methylquinolin-5-yl)-1,3-thiazole-4-carboxamide
CID 63047841
N-(6-chloro-8-methylquinolin-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79378143
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
6-chloro-N-(3,3-dimethylbutyl)-8-methylquinolin-5-amine
CID 63427847

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide (CID 103737695) is N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide is Cc1cc(Cl)c(NC(=O)C(F)(F)C(F)F)c2cccnc12.
What is the InChIKey of N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is GSODHTCSFLAKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF4N2O/c1-6-5-8(14)10(7-3-2-4-19-9(6)7)20-12(21)13(17,18)11(15)16/h2-5,11H,1H3,(H,20,21).
What are the key properties of N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 320.67 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103737695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).