N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine

C29H24F4N4O — CID 176574578

IUPACN-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine
SMILESFc1c[nH]c2cc(Nc3cc(N4CCC(Oc5ccccc5)CC4)c4cc(C(F)(F)F)ccc4n3)ccc12
InChIInChI=1S/C29H24F4N4O/c30-24-17-34-26-15-19(7-8-22(24)26)35-28-16-27(23-14-18(29(31,32)33)6-9-25(23)36-28)37-12-10-21(11-13-37)38-20-4-2-1-3-5-20/h1-9,14-17,21,34H,10-13H2,(H,35,36)
InChIKeyNQMKQSDRBCZEHP-UHFFFAOYSA-N
MW520.53 g/mol
LogP7.67
Rot. Bonds5

About N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine

N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine (PubChem CID 176574578) has the molecular formula C29H24F4N4O and a molecular weight of 520.53 g/mol. Its IUPAC name is N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine
PubChem CID176574578
Molecular FormulaC29H24F4N4O
Molecular Weight520.53 g/mol
Exact Mass520.19
IUPAC NameN-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine
SMILESFc1c[nH]c2cc(Nc3cc(N4CCC(Oc5ccccc5)CC4)c4cc(C(F)(F)F)ccc4n3)ccc12
InChIInChI=1S/C29H24F4N4O/c30-24-17-34-26-15-19(7-8-22(24)26)35-28-16-27(23-14-18(29(31,32)33)6-9-25(23)36-28)37-12-10-21(11-13-37)38-20-4-2-1-3-5-20/h1-9,14-17,21,34H,10-13H2,(H,35,36)
InChIKeyNQMKQSDRBCZEHP-UHFFFAOYSA-N
XLogP7.67
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.53
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine with MolForge

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Related Compounds

4-[(3-fluoro-1H-indol-6-yl)amino]-6-(4-phenoxypiperidin-1-yl)pyridine-2-carbonitrile
CID 176574673
6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
CID 171850898
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
CID 155914575
4-phenoxy-1-[(R)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 97356612
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
4-chloro-N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-2-pyridinyl]-1H-indol-6-amine
CID 176574537
1-(1H-indol-3-yl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethane-1,2-dione
CID 21428735
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
3-fluoro-4-[(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzoic acid
CID 156774681
5,6-dichloro-N-(3-fluoro-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 164540014

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine (CID 176574578) is N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine is Fc1c[nH]c2cc(Nc3cc(N4CCC(Oc5ccccc5)CC4)c4cc(C(F)(F)F)ccc4n3)ccc12.
What is the InChIKey of N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine?
The InChIKey is NQMKQSDRBCZEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4N4O/c30-24-17-34-26-15-19(7-8-22(24)26)35-28-16-27(23-14-18(29(31,32)33)6-9-25(23)36-28)37-12-10-21(11-13-37)38-20-4-2-1-3-5-20/h1-9,14-17,21,34H,10-13H2,(H,35,36).
What are the key properties of N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine?
N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine has a molecular weight of 520.53 g/mol, XLogP of 7.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1H-indol-6-yl)-4-(4-phenoxypiperidin-1-yl)-6-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 176574578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).