1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol

C24H29N3O3 — CID 53370935

IUPAC1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccccc1OCC(O)CN1CCN(c2cc(C)c3ccccc3n2)CC1
InChIInChI=1S/C24H29N3O3/c1-18-15-24(25-21-8-4-3-7-20(18)21)27-13-11-26(12-14-27)16-19(28)17-30-23-10-6-5-9-22(23)29-2/h3-10,15,19,28H,11-14,16-17H2,1-2H3
InChIKeyDOZWXDIISNJMNI-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.11
Rot. Bonds7

About 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol

1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 53370935) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID53370935
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol
SMILESCOc1ccccc1OCC(O)CN1CCN(c2cc(C)c3ccccc3n2)CC1
InChIInChI=1S/C24H29N3O3/c1-18-15-24(25-21-8-4-3-7-20(18)21)27-13-11-26(12-14-27)16-19(28)17-30-23-10-6-5-9-22(23)29-2/h3-10,15,19,28H,11-14,16-17H2,1-2H3
InChIKeyDOZWXDIISNJMNI-UHFFFAOYSA-N
XLogP3.11
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
1-(2,6-dimethylphenoxy)-3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 54598123
1-(2,4-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 24761594
1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70237669
4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylnaphthalen-1-ol;dihydrochloride
CID 22625395
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-phenylmethoxynaphthalen-1-yl)oxypropan-2-ol
CID 14966307
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol (CID 53370935) is 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol is COc1ccccc1OCC(O)CN1CCN(c2cc(C)c3ccccc3n2)CC1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is DOZWXDIISNJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-15-24(25-21-8-4-3-7-20(18)21)27-13-11-26(12-14-27)16-19(28)17-30-23-10-6-5-9-22(23)29-2/h3-10,15,19,28H,11-14,16-17H2,1-2H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol?
1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 407.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-[4-(4-methylquinolin-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 53370935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).