N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

C16H17F3N2O3 — CID 860672

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc2cc(CN(CCO)C(=O)C(F)(F)F)c(=O)[nH]c2c1C
InChIInChI=1S/C16H17F3N2O3/c1-9-3-4-11-7-12(14(23)20-13(11)10(9)2)8-21(5-6-22)15(24)16(17,18)19/h3-4,7,22H,5-6,8H2,1-2H3,(H,20,23)
InChIKeyAKILVIARPYHIGR-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.03
Rot. Bonds4

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (PubChem CID 860672) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
PubChem CID860672
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc2cc(CN(CCO)C(=O)C(F)(F)F)c(=O)[nH]c2c1C
InChIInChI=1S/C16H17F3N2O3/c1-9-3-4-11-7-12(14(23)20-13(11)10(9)2)8-21(5-6-22)15(24)16(17,18)19/h3-4,7,22H,5-6,8H2,1-2H3,(H,20,23)
InChIKeyAKILVIARPYHIGR-UHFFFAOYSA-N
XLogP2.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-hydroxyethyl)thiourea
CID 3171087
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(2-hydroxyethyl)thiourea
CID 1175201
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 3193952
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide
CID 1453705
4-tert-butyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
CID 3190608
1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
CID 3172507
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 3193974
1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)urea
CID 1467563
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462315
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)propanamide
CID 1453682
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 857193
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 1453722

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide (CID 860672) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is Cc1ccc2cc(CN(CCO)C(=O)C(F)(F)F)c(=O)[nH]c2c1C.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
The InChIKey is AKILVIARPYHIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-9-3-4-11-7-12(14(23)20-13(11)10(9)2)8-21(5-6-22)15(24)16(17,18)19/h3-4,7,22H,5-6,8H2,1-2H3,(H,20,23).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide has a molecular weight of 342.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 860672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).