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

C50H61Cl3N6 — CID 158355210

IUPACN-[[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
SMILESCCN(CC)CC1CCN(c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.CCN(CC)CC1CCNCC1.Clc1ccc2c(Cl)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H30ClN3.C15H9Cl2N.C10H22N2/c1-3-28(4-2)18-19-12-14-29(15-13-19)25-17-23(20-8-6-5-7-9-20)27-24-16-21(26)10-11-22(24)25;16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10;1-3-12(4-2)9-10-5-7-11-8-6-10/h5-11,16-17,19H,3-4,12-15,18H2,1-2H3;1-9H;10-11H,3-9H2,1-2H3
InChIKeyGSUFFSLWPKBQLY-UHFFFAOYSA-N
MW852.44 g/mol
LogP12.65
Rot. Bonds11

About 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

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 (PubChem CID 158355210) has the molecular formula C50H61Cl3N6 and a molecular weight of 852.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID158355210
Molecular FormulaC50H61Cl3N6
Molecular Weight852.44 g/mol
Exact Mass850.40
IUPAC NameN-[[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
SMILESCCN(CC)CC1CCN(c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.CCN(CC)CC1CCNCC1.Clc1ccc2c(Cl)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H30ClN3.C15H9Cl2N.C10H22N2/c1-3-28(4-2)18-19-12-14-29(15-13-19)25-17-23(20-8-6-5-7-9-20)27-24-16-21(26)10-11-22(24)25;16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10;1-3-12(4-2)9-10-5-7-11-8-6-10/h5-11,16-17,19H,3-4,12-15,18H2,1-2H3;1-9H;10-11H,3-9H2,1-2H3
InChIKeyGSUFFSLWPKBQLY-UHFFFAOYSA-N
XLogP12.65
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.44
LogP ≤ 512.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CC1CCN(c2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.CCN(CC)CC1CCNCC1.Clc1ccc2c(Cl)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 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?
The InChIKey is GSUFFSLWPKBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3.C15H9Cl2N.C10H22N2/c1-3-28(4-2)18-19-12-14-29(15-13-19)25-17-23(20-8-6-5-7-9-20)27-24-16-21(26)10-11-22(24)25;16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10;1-3-12(4-2)9-10-5-7-11-8-6-10/h5-11,16-17,19H,3-4,12-15,18H2,1-2H3;1-9H;10-11H,3-9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 852.44 g/mol, XLogP of 12.65, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158355210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).