N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide

C27H30F3N3O — CID 11669990

IUPACN-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
SMILESCCN(CC)C1(C(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)c2ccccc2)CCCC1
InChIInChI=1S/C27H30F3N3O/c1-3-33(4-2)26(16-10-11-17-26)24(19-12-6-5-7-13-19)32-25(34)21-18-23(27(28,29)30)31-22-15-9-8-14-20(21)22/h5-9,12-15,18,24H,3-4,10-11,16-17H2,1-2H3,(H,32,34)
InChIKeyXYNVIJYVOVNRCQ-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.38
Rot. Bonds7

About N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide

N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide (PubChem CID 11669990) has the molecular formula C27H30F3N3O and a molecular weight of 469.55 g/mol. Its IUPAC name is N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
PubChem CID11669990
Molecular FormulaC27H30F3N3O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC NameN-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
SMILESCCN(CC)C1(C(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)c2ccccc2)CCCC1
InChIInChI=1S/C27H30F3N3O/c1-3-33(4-2)26(16-10-11-17-26)24(19-12-6-5-7-13-19)32-25(34)21-18-23(27(28,29)30)31-22-15-9-8-14-20(21)22/h5-9,12-15,18,24H,3-4,10-11,16-17H2,1-2H3,(H,32,34)
InChIKeyXYNVIJYVOVNRCQ-UHFFFAOYSA-N
XLogP6.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11576123
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-8-methyl-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11683926
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide
CID 143249927
2-phenyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]butanamide
CID 163266929
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone
CID 167960427
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
N-[[1-[iodomethyl(methyl)amino]cyclopentyl]-phenylmethyl]-2,6-dimethylbenzamide
CID 89169823

Frequently Asked Questions

What is the IUPAC name of N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide?
The IUPAC name of N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide (CID 11669990) is N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide?
The canonical SMILES for N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide is CCN(CC)C1(C(NC(=O)c2cc(C(F)(F)F)nc3ccccc23)c2ccccc2)CCCC1.
What is the InChIKey of N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide?
The InChIKey is XYNVIJYVOVNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O/c1-3-33(4-2)26(16-10-11-17-26)24(19-12-6-5-7-13-19)32-25(34)21-18-23(27(28,29)30)31-22-15-9-8-14-20(21)22/h5-9,12-15,18,24H,3-4,10-11,16-17H2,1-2H3,(H,32,34).
What are the key properties of N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide?
N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide is sourced from PubChem (CID 11669990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).