N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone

C52H66N6O — CID 160902581

IUPACN,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)nc2ccccc12.CCN(CC)C1CCN(C(C)c2cc(-c3ccccc3)nc3ccccc23)CC1.CCN(CC)C1CCNCC1
InChIInChI=1S/C26H33N3.C17H13NO.C9H20N2/c1-4-28(5-2)22-15-17-29(18-16-22)20(3)24-19-26(21-11-7-6-8-12-21)27-25-14-10-9-13-23(24)25;1-12(19)15-11-17(13-7-3-2-4-8-13)18-16-10-6-5-9-14(15)16;1-3-11(4-2)9-5-7-10-8-6-9/h6-14,19-20,22H,4-5,15-18H2,1-3H3;2-11H,1H3;9-10H,3-8H2,1-2H3
InChIKeySPRZCENTWARIIM-UHFFFAOYSA-N
MW791.14 g/mol
LogP10.95
Rot. Bonds11

About N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone

N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone (PubChem CID 160902581) has the molecular formula C52H66N6O and a molecular weight of 791.14 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone
PubChem CID160902581
Molecular FormulaC52H66N6O
Molecular Weight791.14 g/mol
Exact Mass790.53
IUPAC NameN,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccc2)nc2ccccc12.CCN(CC)C1CCN(C(C)c2cc(-c3ccccc3)nc3ccccc23)CC1.CCN(CC)C1CCNCC1
InChIInChI=1S/C26H33N3.C17H13NO.C9H20N2/c1-4-28(5-2)22-15-17-29(18-16-22)20(3)24-19-26(21-11-7-6-8-12-21)27-25-14-10-9-13-23(24)25;1-12(19)15-11-17(13-7-3-2-4-8-13)18-16-10-6-5-9-14(15)16;1-3-11(4-2)9-5-7-10-8-6-9/h6-14,19-20,22H,4-5,15-18H2,1-3H3;2-11H,1H3;9-10H,3-8H2,1-2H3
InChIKeySPRZCENTWARIIM-UHFFFAOYSA-N
XLogP10.95
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.14
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(7-chloro-2-phenylquinolin-4-yl)ethanone;1-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]-N,N-diethylpiperidin-4-amine;N,N-diethylpiperidin-4-amine
CID 161125777
1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 158750926
N,N-diethyl-1-[1-(2-naphthalen-2-ylquinolin-4-yl)ethyl]piperidin-4-amine
CID 86274057
bis(N-benzyl-N-(2-phenylethyl)-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine);dihydrochloride
CID 161313655
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 122554547
2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
CID 86275500
N-tert-butyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;2-methylpropan-2-amine;1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-one
CID 162111722
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone?
The IUPAC name of N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone (CID 160902581) is N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone.
What is the SMILES notation for N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone?
The canonical SMILES for N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone is CC(=O)c1cc(-c2ccccc2)nc2ccccc12.CCN(CC)C1CCN(C(C)c2cc(-c3ccccc3)nc3ccccc23)CC1.CCN(CC)C1CCNCC1.
What is the InChIKey of N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone?
The InChIKey is SPRZCENTWARIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3.C17H13NO.C9H20N2/c1-4-28(5-2)22-15-17-29(18-16-22)20(3)24-19-26(21-11-7-6-8-12-21)27-25-14-10-9-13-23(24)25;1-12(19)15-11-17(13-7-3-2-4-8-13)18-16-10-6-5-9-14(15)16;1-3-11(4-2)9-5-7-10-8-6-9/h6-14,19-20,22H,4-5,15-18H2,1-3H3;2-11H,1H3;9-10H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone?
N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone has a molecular weight of 791.14 g/mol, XLogP of 10.95, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone is sourced from PubChem (CID 160902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).