(6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C29H32N2O3 — CID 22064611

IUPAC(6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CCC1c1ccccc1
InChIInChI=1S/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2
InChIKeyDMRMYRIKDDOVCY-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.59
Rot. Bonds6

About (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

(6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 22064611) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name(6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID22064611
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name(6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CCC1c1ccccc1
InChIInChI=1S/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2
InChIKeyDMRMYRIKDDOVCY-UHFFFAOYSA-N
XLogP5.59
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10181886
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CID 10275313
CID 10928963
CID 10928963
CID 11744183
CID 11744183
CID 14969536
CID 14969536
CID 14969537
CID 14969537
CID 14969538
CID 14969538
CID 14969545
CID 14969545
CID 14969546
CID 14969546

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 22064611) is (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)N1c2ccc(O)cc2CCC1c1ccccc1.
What is the InChIKey of (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is DMRMYRIKDDOVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c32-25-12-16-28-24(21-25)11-15-27(22-7-3-1-4-8-22)31(28)29(33)23-9-13-26(14-10-23)34-20-19-30-17-5-2-6-18-30/h1,3-4,7-10,12-14,16,21,27,32H,2,5-6,11,15,17-20H2.
What are the key properties of (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
(6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 456.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-phenyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 22064611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).