N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide

C25H29ClF3N3O3 — CID 164990430

IUPACN-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NC1CCC(Cc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H29ClF3N3O3/c26-18-3-6-21-20(15-18)17(14-22(31-21)25(27,28)29)13-16-1-4-19(5-2-16)30-23(33)7-8-24(34)32-9-11-35-12-10-32/h3,6,14-16,19H,1-2,4-5,7-13H2,(H,30,33)
InChIKeyGTTYQGPVZGQMSW-UHFFFAOYSA-N
MW511.97 g/mol
LogP4.76
Rot. Bonds6

About N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 164990430) has the molecular formula C25H29ClF3N3O3 and a molecular weight of 511.97 g/mol. Its IUPAC name is N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID164990430
Molecular FormulaC25H29ClF3N3O3
Molecular Weight511.97 g/mol
Exact Mass511.18
IUPAC NameN-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NC1CCC(Cc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H29ClF3N3O3/c26-18-3-6-21-20(15-18)17(14-22(31-21)25(27,28)29)13-16-1-4-19(5-2-16)30-23(33)7-8-24(34)32-9-11-35-12-10-32/h3,6,14-16,19H,1-2,4-5,7-13H2,(H,30,33)
InChIKeyGTTYQGPVZGQMSW-UHFFFAOYSA-N
XLogP4.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.97
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide with MolForge

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Related Compounds

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
(3R)-N'-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(2-methylpropyl)pentanediamide
CID 163267058
benzyl N-[4-[[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]amino]-4-oxobutyl]carbamate
CID 167099287
(2S)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide;sulfane
CID 165075591
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163267125
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163267157
2-(4-chloro-1H-indol-3-yl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]acetamide
CID 167099232
1-[(3S,5R)-3-amino-5-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]piperidin-1-yl]ethanone
CID 177295664
4-(butanoylamino)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methylbenzamide
CID 164991990
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-pyrazol-1-ylbenzamide
CID 163267123
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(propanoylamino)benzamide
CID 163267091
2-acetamido-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(1H-indol-3-yl)propanamide
CID 163267228

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide (CID 164990430) is N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)NC1CCC(Cc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1.
What is the InChIKey of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is GTTYQGPVZGQMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N3O3/c26-18-3-6-21-20(15-18)17(14-22(31-21)25(27,28)29)13-16-1-4-19(5-2-16)30-23(33)7-8-24(34)32-9-11-35-12-10-32/h3,6,14-16,19H,1-2,4-5,7-13H2,(H,30,33).
What are the key properties of N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 511.97 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]methyl]cyclohexyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 164990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).