1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol

C25H31N3O3 — CID 22386516

IUPAC1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCN(CCCOc4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N3O3/c1-30-21-8-9-24-23(18-21)22(10-11-26-24)25(29)19-28-15-13-27(14-16-28)12-5-17-31-20-6-3-2-4-7-20/h2-4,6-11,18,25,29H,5,12-17,19H2,1H3
InChIKeyXWUFSCZHVLQUFP-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.36
Rot. Bonds9

About 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol

1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol (PubChem CID 22386516) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
PubChem CID22386516
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCN(CCCOc4ccccc4)CC3)c2c1
InChIInChI=1S/C25H31N3O3/c1-30-21-8-9-24-23(18-21)22(10-11-26-24)25(29)19-28-15-13-27(14-16-28)12-5-17-31-20-6-3-2-4-7-20/h2-4,6-11,18,25,29H,5,12-17,19H2,1H3
InChIKeyXWUFSCZHVLQUFP-UHFFFAOYSA-N
XLogP3.36
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
(1S)-1-(6-methoxyquinolin-4-yl)-2-[4-(4-phenylbutyl)piperazin-1-yl]ethanamine
CID 10180321
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one
CID 10113607
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one;oxalic acid
CID 131737682
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
2-[(1-heptylpiperidin-4-yl)amino]-1-(6-methoxyquinolin-4-yl)ethanol
CID 22255916
2-[5-(hydroxymethyl)-1,4-diazocan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 142884528
2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide
CID 23152163
2-(4-benzylpiperazin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44535502
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[2-(2-nitrophenoxy)ethylamino]piperidin-1-yl]ethanol
CID 44535118
(1R)-3-[(3R,4R)-3-(hydroxymethyl)-1-(3-phenylsulfanylpropyl)piperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol
CID 21346543
(3R,4R)-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]-1-(4-pyrimidin-2-ylbutyl)piperidine-3-carboxylic acid
CID 70177394

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol (CID 22386516) is 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol is COc1ccc2nccc(C(O)CN3CCN(CCCOc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol?
The InChIKey is XWUFSCZHVLQUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-30-21-8-9-24-23(18-21)22(10-11-26-24)25(29)19-28-15-13-27(14-16-28)12-5-17-31-20-6-3-2-4-7-20/h2-4,6-11,18,25,29H,5,12-17,19H2,1H3.
What are the key properties of 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol?
1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol has a molecular weight of 421.54 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 22386516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).