2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol

C15H18ClN3O — CID 21424741

IUPAC2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H18ClN3O/c16-12-1-2-13-14(11-12)17-4-3-15(13)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10H2
InChIKeyGEUBAJKVKVTLRU-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.00
Rot. Bonds3

About 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol

2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol (PubChem CID 21424741) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol
PubChem CID21424741
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C15H18ClN3O/c16-12-1-2-13-14(11-12)17-4-3-15(13)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10H2
InChIKeyGEUBAJKVKVTLRU-UHFFFAOYSA-N
XLogP2.00
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol (CID 21424741) is 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is GEUBAJKVKVTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-1-2-13-14(11-12)17-4-3-15(13)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10H2.
What are the key properties of 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol?
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 291.78 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 21424741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).