2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate

C14H15F3N2O3 — CID 94647057

IUPAC2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H15F3N2O3/c1-8(18-13(21)22-7-14(15,16)17)9-2-4-11-10(6-9)3-5-12(20)19-11/h2,4,6,8H,3,5,7H2,1H3,(H,18,21)(H,19,20)/t8-/m0/s1
InChIKeyPMXRRCPIGIIWHH-QMMMGPOBSA-N
MW316.28 g/mol
LogP2.92
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate (PubChem CID 94647057) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
PubChem CID94647057
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H15F3N2O3/c1-8(18-13(21)22-7-14(15,16)17)9-2-4-11-10(6-9)3-5-12(20)19-11/h2,4,6,8H,3,5,7H2,1H3,(H,18,21)(H,19,20)/t8-/m0/s1
InChIKeyPMXRRCPIGIIWHH-QMMMGPOBSA-N
XLogP2.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate with MolForge

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Related Compounds

1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51120389
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
2-(3,5-difluorophenyl)-2-methoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 154845292
3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
CID 119729796
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
1-(furan-3-ylmethyl)-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120743

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate (CID 94647057) is 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate is C[C@H](NC(=O)OCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate?
The InChIKey is PMXRRCPIGIIWHH-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-8(18-13(21)22-7-14(15,16)17)9-2-4-11-10(6-9)3-5-12(20)19-11/h2,4,6,8H,3,5,7H2,1H3,(H,18,21)(H,19,20)/t8-/m0/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate has a molecular weight of 316.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate is sourced from PubChem (CID 94647057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).