2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C18H19F3N2O3 — CID 1445627

IUPAC2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)c(=O)[nH]c12
InChIInChI=1S/C18H19F3N2O3/c1-11-4-2-5-12-8-13(16(24)22-15(11)12)9-23(17(25)18(19,20)21)10-14-6-3-7-26-14/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyMYNURVIYBIFTHU-CQSZACIVSA-N
MW368.36 g/mol
LogP2.91
Rot. Bonds4

About 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 1445627) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID1445627
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)c(=O)[nH]c12
InChIInChI=1S/C18H19F3N2O3/c1-11-4-2-5-12-8-13(16(24)22-15(11)12)9-23(17(25)18(19,20)21)10-14-6-3-7-26-14/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyMYNURVIYBIFTHU-CQSZACIVSA-N
XLogP2.91
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1138180
3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 3171182
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1157151
3-(4-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3194371
3-[(2R)-butan-2-yl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1166173
3-butan-2-yl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 3184448
3-(4-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1374913
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2031189
3-[3-(diethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 5160213
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 857193
(2R)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]oxolane-2-carboxamide
CID 7141027

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 1445627) is 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)C(F)(F)F)c(=O)[nH]c12.
What is the InChIKey of 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is MYNURVIYBIFTHU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-11-4-2-5-12-8-13(16(24)22-15(11)12)9-23(17(25)18(19,20)21)10-14-6-3-7-26-14/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1445627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).