(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone

C29H26N2O4 — CID 24615482

IUPAC(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H26N2O4/c1-35-23-12-8-19(9-13-23)27-18-25(24-4-2-3-5-26(24)30-27)29(34)31-16-14-21(15-17-31)28(33)20-6-10-22(32)11-7-20/h2-13,18,21,32H,14-17H2,1H3
InChIKeyRPMVARQPEOQSSU-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.35
Rot. Bonds5

About (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone

(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone (PubChem CID 24615482) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
PubChem CID24615482
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H26N2O4/c1-35-23-12-8-19(9-13-23)27-18-25(24-4-2-3-5-26(24)30-27)29(34)31-16-14-21(15-17-31)28(33)20-6-10-22(32)11-7-20/h2-13,18,21,32H,14-17H2,1H3
InChIKeyRPMVARQPEOQSSU-UHFFFAOYSA-N
XLogP5.35
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
[2-(4-methoxyphenyl)quinolin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396458
N-methyl-1-[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 55469276

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone (CID 24615482) is (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone?
The InChIKey is RPMVARQPEOQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-35-23-12-8-19(9-13-23)27-18-25(24-4-2-3-5-26(24)30-27)29(34)31-16-14-21(15-17-31)28(33)20-6-10-22(32)11-7-20/h2-13,18,21,32H,14-17H2,1H3.
What are the key properties of (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone?
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone has a molecular weight of 466.54 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 24615482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).