2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline

C27H31N3O — CID 21398471

IUPAC2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc(C2CCc3ccccc3N2c2ccc(OCCN3CCNCC3)cc2)cc1
InChIInChI=1S/C27H31N3O/c1-2-6-22(7-3-1)27-15-10-23-8-4-5-9-26(23)30(27)24-11-13-25(14-12-24)31-21-20-29-18-16-28-17-19-29/h1-9,11-14,27-28H,10,15-21H2
InChIKeyNYPZWHXVEBDWMQ-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.80
Rot. Bonds6

About 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline

2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline (PubChem CID 21398471) has the molecular formula C27H31N3O and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline
PubChem CID21398471
Molecular FormulaC27H31N3O
Molecular Weight413.57 g/mol
Exact Mass413.25
IUPAC Name2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc(C2CCc3ccccc3N2c2ccc(OCCN3CCNCC3)cc2)cc1
InChIInChI=1S/C27H31N3O/c1-2-6-22(7-3-1)27-15-10-23-8-4-5-9-26(23)30(27)24-11-13-25(14-12-24)31-21-20-29-18-16-28-17-19-29/h1-9,11-14,27-28H,10,15-21H2
InChIKeyNYPZWHXVEBDWMQ-UHFFFAOYSA-N
XLogP4.80
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline (CID 21398471) is 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline is c1ccc(C2CCc3ccccc3N2c2ccc(OCCN3CCNCC3)cc2)cc1.
What is the InChIKey of 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline?
The InChIKey is NYPZWHXVEBDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O/c1-2-6-22(7-3-1)27-15-10-23-8-4-5-9-26(23)30(27)24-11-13-25(14-12-24)31-21-20-29-18-16-28-17-19-29/h1-9,11-14,27-28H,10,15-21H2.
What are the key properties of 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline?
2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline has a molecular weight of 413.57 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(2-piperazin-1-ylethoxy)phenyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 21398471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).