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

C52H64Cl2N6O — CID 161125777

IUPAC1-(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
SMILESCC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.CCN(CC)C1CCN(C(C)c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.CCN(CC)C1CCNCC1
InChIInChI=1S/C26H32ClN3.C17H12ClNO.C9H20N2/c1-4-29(5-2)22-13-15-30(16-14-22)19(3)24-18-25(20-9-7-6-8-10-20)28-26-17-21(27)11-12-23(24)26;1-11(20)15-10-16(12-5-3-2-4-6-12)19-17-9-13(18)7-8-14(15)17;1-3-11(4-2)9-5-7-10-8-6-9/h6-12,17-19,22H,4-5,13-16H2,1-3H3;2-10H,1H3;9-10H,3-8H2,1-2H3
InChIKeyULNOUDQACRSVRU-UHFFFAOYSA-N
MW860.03 g/mol
LogP12.26
Rot. Bonds11

About 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

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 (PubChem CID 161125777) has the molecular formula C52H64Cl2N6O and a molecular weight of 860.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID161125777
Molecular FormulaC52H64Cl2N6O
Molecular Weight860.03 g/mol
Exact Mass858.45
IUPAC Name1-(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
SMILESCC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.CCN(CC)C1CCN(C(C)c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.CCN(CC)C1CCNCC1
InChIInChI=1S/C26H32ClN3.C17H12ClNO.C9H20N2/c1-4-29(5-2)22-13-15-30(16-14-22)19(3)24-18-25(20-9-7-6-8-10-20)28-26-17-21(27)11-12-23(24)26;1-11(20)15-10-16(12-5-3-2-4-6-12)19-17-9-13(18)7-8-14(15)17;1-3-11(4-2)9-5-7-10-8-6-9/h6-12,17-19,22H,4-5,13-16H2,1-3H3;2-10H,1H3;9-10H,3-8H2,1-2H3
InChIKeyULNOUDQACRSVRU-UHFFFAOYSA-N
XLogP12.26
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.03
LogP ≤ 512.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
CID 86273339
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-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
N-[[1-(7-chloro-2-phenylquinolin-4-yl)piperidin-4-yl]methyl]-N-ethylethanamine;4,7-dichloro-2-phenylquinoline;N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 158355210
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 122554547
1-benzyl-N-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 122554559
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
CID 86275500

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12.CCN(CC)C1CCN(C(C)c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.CCN(CC)C1CCNCC1.
What is the InChIKey of 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?
The InChIKey is ULNOUDQACRSVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3.C17H12ClNO.C9H20N2/c1-4-29(5-2)22-13-15-30(16-14-22)19(3)24-18-25(20-9-7-6-8-10-20)28-26-17-21(27)11-12-23(24)26;1-11(20)15-10-16(12-5-3-2-4-6-12)19-17-9-13(18)7-8-14(15)17;1-3-11(4-2)9-5-7-10-8-6-9/h6-12,17-19,22H,4-5,13-16H2,1-3H3;2-10H,1H3;9-10H,3-8H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 860.03 g/mol, XLogP of 12.26, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161125777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).