N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

C24H26F3N3O2 — CID 163235786

IUPACN-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1Cc2c(CN3CCOCC3)cccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C24H26F3N3O2/c1-2-23(31)28-19-14-21-17(15-29-10-12-32-13-11-29)4-3-5-22(21)30(16-19)20-8-6-18(7-9-20)24(25,26)27/h2-9,19H,1,10-16H2,(H,28,31)
InChIKeyAJJRQDVCORGWBD-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.90
Rot. Bonds5

About N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide

N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide (PubChem CID 163235786) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
PubChem CID163235786
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1Cc2c(CN3CCOCC3)cccc2N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C24H26F3N3O2/c1-2-23(31)28-19-14-21-17(15-29-10-12-32-13-11-29)4-3-5-22(21)30(16-19)20-8-6-18(7-9-20)24(25,26)27/h2-9,19H,1,10-16H2,(H,28,31)
InChIKeyAJJRQDVCORGWBD-UHFFFAOYSA-N
XLogP3.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-(prop-2-enoylamino)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]acetic acid
CID 175994010
N-[5-[(3-fluorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235976
N-[5-cyano-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235790
N-[1-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235851
N-[[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]prop-2-enamide
CID 172543060
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
N-[1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235834
tert-butyl N-[5-carbamoyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 163236042
N-[1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide
CID 163235831
N-[[1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-2-yl]methyl]prop-2-enamide
CID 172543276
N-[[4-methyl-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-3-yl]methyl]prop-2-enamide
CID 172543167
N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
CID 166411468

Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide (CID 163235786) is N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide is C=CC(=O)NC1Cc2c(CN3CCOCC3)cccc2N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
The InChIKey is AJJRQDVCORGWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-2-23(31)28-19-14-21-17(15-29-10-12-32-13-11-29)4-3-5-22(21)30(16-19)20-8-6-18(7-9-20)24(25,26)27/h2-9,19H,1,10-16H2,(H,28,31).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide?
N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide has a molecular weight of 445.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]prop-2-enamide is sourced from PubChem (CID 163235786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).