(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C27H25N3O — CID 16609697

IUPAC(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C27H25N3O/c31-27(24-13-11-22(12-14-24)21-6-2-1-3-7-21)30-18-16-29(17-19-30)20-25-9-4-8-23-10-5-15-28-26(23)25/h1-15H,16-20H2
InChIKeyIYEQYQNSTOBRLS-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.86
Rot. Bonds4

About (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 16609697) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID16609697
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C27H25N3O/c31-27(24-13-11-22(12-14-24)21-6-2-1-3-7-21)30-18-16-29(17-19-30)20-25-9-4-8-23-10-5-15-28-26(23)25/h1-15H,16-20H2
InChIKeyIYEQYQNSTOBRLS-UHFFFAOYSA-N
XLogP4.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 97013755
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622995
[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623002
7-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 166207806

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 16609697) is (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IYEQYQNSTOBRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-27(24-13-11-22(12-14-24)21-6-2-1-3-7-21)30-18-16-29(17-19-30)20-25-9-4-8-23-10-5-15-28-26(23)25/h1-15H,16-20H2.
What are the key properties of (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 407.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16609697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).