2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol

C29H34N2O3 — CID 10182934

IUPAC2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol
SMILESOc1cccc(C2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)c1
InChIInChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
InChIKeyVPHDBSKPCLXHJV-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.66
Rot. Bonds7

About 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol

2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol (PubChem CID 10182934) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol
PubChem CID10182934
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol
SMILESOc1cccc(C2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)c1
InChIInChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2
InChIKeyVPHDBSKPCLXHJV-UHFFFAOYSA-N
XLogP5.66
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol with MolForge

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Related Compounds

2-Phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 9953602
2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
CID 448915
2-(4-Fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10026593
2-(4-Fluorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10479379
2-[3-(Dimethylamino)phenyl]-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10885394
1-Methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-[3-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10917876
1-Methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928571
2-(4-Chlorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928882
2-(3-Hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10939453
2-(3-Chlorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10950883
1-Methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10993930
2-(3-Fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 11015765

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol (CID 10182934) is 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol is Oc1cccc(C2CCc3cc(O)ccc3N2Cc2ccc(OCCN3CCCCC3)cc2)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol?
The InChIKey is VPHDBSKPCLXHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c32-25-6-4-5-23(19-25)28-13-9-24-20-26(33)10-14-29(24)31(28)21-22-7-11-27(12-8-22)34-18-17-30-15-2-1-3-16-30/h4-8,10-12,14,19-20,28,32-33H,1-3,9,13,15-18,21H2.
What are the key properties of 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol?
2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol has a molecular weight of 458.60 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-ol is sourced from PubChem (CID 10182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).