N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C24H23F3N2O2 — CID 166413362

IUPACN-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)N(CC3CC3)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C24H23F3N2O2/c1-2-22(30)28-12-4-5-17-13-18(10-11-21(17)28)23(31)29(15-16-8-9-16)20-7-3-6-19(14-20)24(25,26)27/h2-3,6-7,10-11,13-14,16H,1,4-5,8-9,12,15H2
InChIKeyPAFLIOLWTJPCHW-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.23
Rot. Bonds5

About N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 166413362) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID166413362
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)N(CC3CC3)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C24H23F3N2O2/c1-2-22(30)28-12-4-5-17-13-18(10-11-21(17)28)23(31)29(15-16-8-9-16)20-7-3-6-19(14-20)24(25,26)27/h2-3,6-7,10-11,13-14,16H,1,4-5,8-9,12,15H2
InChIKeyPAFLIOLWTJPCHW-UHFFFAOYSA-N
XLogP5.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoyl-N-[[4-(trifluoromethyl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413171
N-methyl-N-(2-phenylethyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413225
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
1-[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166413208
N-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167941860
N-(cyclopentyl-methyl-oxo-λ6-sulfanylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413320
1-prop-2-enoyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413228
1-[6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166413350
1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
CID 166413301
N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413158
1-[7-(trifluoromethyl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]prop-2-en-1-one
CID 166415801
methyl (3S)-1-(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperidine-3-carboxylate
CID 166413264

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 166413362) is N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is C=CC(=O)N1CCCc2cc(C(=O)N(CC3CC3)c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is PAFLIOLWTJPCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-2-22(30)28-12-4-5-17-13-18(10-11-21(17)28)23(31)29(15-16-8-9-16)20-7-3-6-19(14-20)24(25,26)27/h2-3,6-7,10-11,13-14,16H,1,4-5,8-9,12,15H2.
What are the key properties of N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-prop-2-enoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 166413362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).