[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C25H22ClN3O2 — CID 16623002

IUPAC[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H22ClN3O2/c26-21-8-6-18(7-9-21)22-10-11-23(31-22)25(30)29-15-13-28(14-16-29)17-20-4-1-3-19-5-2-12-27-24(19)20/h1-12H,13-17H2
InChIKeyZHFBEAVMPAGFOA-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.11
Rot. Bonds4

About [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 16623002) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID16623002
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H22ClN3O2/c26-21-8-6-18(7-9-21)22-10-11-23(31-22)25(30)29-15-13-28(14-16-29)17-20-4-1-3-19-5-2-12-27-24(19)20/h1-12H,13-17H2
InChIKeyZHFBEAVMPAGFOA-UHFFFAOYSA-N
XLogP5.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
(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
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone
CID 55513223
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 16623002) is [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZHFBEAVMPAGFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-21-8-6-18(7-9-21)22-10-11-23(31-22)25(30)29-15-13-28(14-16-29)17-20-4-1-3-19-5-2-12-27-24(19)20/h1-12H,13-17H2.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
[5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 431.92 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16623002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).