1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine

C47H53ClN6O3 — CID 68862229

IUPAC1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl
InChIInChI=1S/C47H53ClN6O3/c1-4-56-44-30-34(14-18-40(44)48)32-51-26-22-38(23-27-51)53(46-20-16-36-10-6-8-12-41(36)49-46)54(47-21-17-37-11-7-9-13-42(37)50-47)39-24-28-52(29-25-39)33-35-15-19-43(55-3)45(31-35)57-5-2/h6-21,30-31,38-39H,4-5,22-29,32-33H2,1-3H3
InChIKeyNMIGLPAEACQUCX-UHFFFAOYSA-N
MW785.43 g/mol
LogP9.80
Rot. Bonds14

About 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine

1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine (PubChem CID 68862229) has the molecular formula C47H53ClN6O3 and a molecular weight of 785.43 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
PubChem CID68862229
Molecular FormulaC47H53ClN6O3
Molecular Weight785.43 g/mol
Exact Mass784.39
IUPAC Name1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl
InChIInChI=1S/C47H53ClN6O3/c1-4-56-44-30-34(14-18-40(44)48)32-51-26-22-38(23-27-51)53(46-20-16-36-10-6-8-12-41(36)49-46)54(47-21-17-37-11-7-9-13-42(37)50-47)39-24-28-52(29-25-39)33-35-15-19-43(55-3)45(31-35)57-5-2/h6-21,30-31,38-39H,4-5,22-29,32-33H2,1-3H3
InChIKeyNMIGLPAEACQUCX-UHFFFAOYSA-N
XLogP9.80
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.43
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?
The IUPAC name of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine (CID 68862229) is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine.
What is the SMILES notation for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?
The canonical SMILES for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine is CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl.
What is the InChIKey of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?
The InChIKey is NMIGLPAEACQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H53ClN6O3/c1-4-56-44-30-34(14-18-40(44)48)32-51-26-22-38(23-27-51)53(46-20-16-36-10-6-8-12-41(36)49-46)54(47-21-17-37-11-7-9-13-42(37)50-47)39-24-28-52(29-25-39)33-35-15-19-43(55-3)45(31-35)57-5-2/h6-21,30-31,38-39H,4-5,22-29,32-33H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine?
1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine has a molecular weight of 785.43 g/mol, XLogP of 9.80, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-2-yl)hydrazine is sourced from PubChem (CID 68862229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).