1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol

C29H31N3O2 — CID 10434076

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol
SMILESOC(COc1ccc2cccnc2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31N3O2/c33-26(22-34-27-14-13-23-12-7-15-30-28(23)20-27)21-31-16-18-32(19-17-31)29(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-15,20,26,29,33H,16-19,21-22H2
InChIKeyHKYYWQRYCVLVFC-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.38
Rot. Bonds8

About 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol (PubChem CID 10434076) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol
PubChem CID10434076
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol
SMILESOC(COc1ccc2cccnc2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31N3O2/c33-26(22-34-27-14-13-23-12-7-15-30-28(23)20-27)21-31-16-18-32(19-17-31)29(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-15,20,26,29,33H,16-19,21-22H2
InChIKeyHKYYWQRYCVLVFC-UHFFFAOYSA-N
XLogP4.38
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol with MolForge

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Related Compounds

Zosuquidar
CID 3036703
Dofequidar
CID 213040
SB 714786
CID 10287730
7-Benzyloxyquinoline
CID 3035604
Zosuquidar Trihydrochloride
CID 153997
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
1-[4-(diphenylmethyl)piperazin-1-yl]-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 3858663
2-Methyl-5-[2-[4-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-1-yl]ethoxy]quinoline
CID 10195275
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132
1-(4-(3-Methoxyphenyl)piperazin-1-yl)-3-(quinazolin-4-yloxy)propan-2-ol (3h)
CID 118796628
5-[2-(4-Benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
CID 24865538
5-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 44395383

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol (CID 10434076) is 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol is OC(COc1ccc2cccnc2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol?
The InChIKey is HKYYWQRYCVLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c33-26(22-34-27-14-13-23-12-7-15-30-28(23)20-27)21-31-16-18-32(19-17-31)29(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-15,20,26,29,33H,16-19,21-22H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol has a molecular weight of 453.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-7-yloxypropan-2-ol is sourced from PubChem (CID 10434076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).