N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide

C23H25F3N2O2 — CID 163236070

IUPACN-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)N(CCOC)CC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C23H25F3N2O2/c1-3-22(29)27(12-13-30-2)15-17-14-18-6-4-5-7-21(18)28(16-17)20-10-8-19(9-11-20)23(24,25)26/h3-11,17H,1,12-16H2,2H3
InChIKeyZIHCNPSYASHTGC-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.68
Rot. Bonds7

About N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide

N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide (PubChem CID 163236070) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
PubChem CID163236070
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
SMILESC=CC(=O)N(CCOC)CC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C23H25F3N2O2/c1-3-22(29)27(12-13-30-2)15-17-14-18-6-4-5-7-21(18)28(16-17)20-10-8-19(9-11-20)23(24,25)26/h3-11,17H,1,12-16H2,2H3
InChIKeyZIHCNPSYASHTGC-UHFFFAOYSA-N
XLogP4.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide (CID 163236070) is N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide is C=CC(=O)N(CCOC)CC1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide?
The InChIKey is ZIHCNPSYASHTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-3-22(29)27(12-13-30-2)15-17-14-18-6-4-5-7-21(18)28(16-17)20-10-8-19(9-11-20)23(24,25)26/h3-11,17H,1,12-16H2,2H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide?
N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide has a molecular weight of 418.46 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 163236070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).