2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol

C17H23ClN4O — CID 67301551

IUPAC2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol
SMILESCC(N)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1
InChIInChI=1S/C17H23ClN4O/c1-12(19)14-11-15(18)13-3-2-4-20-16(13)17(14)22-7-5-21(6-8-22)9-10-23/h2-4,11-12,23H,5-10,19H2,1H3
InChIKeyMSLYHUZAFPXBSB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.02
Rot. Bonds4

About 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol

2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol (PubChem CID 67301551) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol
PubChem CID67301551
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol
SMILESCC(N)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1
InChIInChI=1S/C17H23ClN4O/c1-12(19)14-11-15(18)13-3-2-4-20-16(13)17(14)22-7-5-21(6-8-22)9-10-23/h2-4,11-12,23H,5-10,19H2,1H3
InChIKeyMSLYHUZAFPXBSB-UHFFFAOYSA-N
XLogP2.02
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
CID 58368629
1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one
CID 58368588
N'-[(E)-[1-[5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinolin-7-yl]ethylamino]-(5-methylidene-1H-imidazol-4-ylidene)methyl]methanimidamide
CID 173471314
2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
CID 173056499
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
2-[4-[8-chloro-3-[1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanol
CID 71183450
2-[4-[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanol
CID 52938005
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
CID 67248520
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol (CID 67301551) is 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol is CC(N)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol?
The InChIKey is MSLYHUZAFPXBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-12(19)14-11-15(18)13-3-2-4-20-16(13)17(14)22-7-5-21(6-8-22)9-10-23/h2-4,11-12,23H,5-10,19H2,1H3.
What are the key properties of 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol?
2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol has a molecular weight of 334.85 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 67301551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).