1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one

C26H24ClN3O2 — CID 31399591

IUPAC1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H24ClN3O2/c27-20-6-9-22-23(18-20)28-13-12-24(22)29-14-16-30(17-15-29)26(31)11-8-21-7-10-25(32-21)19-4-2-1-3-5-19/h1-7,9-10,12-13,18H,8,11,14-17H2
InChIKeyDARZSLZUOILWSE-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.43
Rot. Bonds5

About 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one

1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one (PubChem CID 31399591) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
PubChem CID31399591
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H24ClN3O2/c27-20-6-9-22-23(18-20)28-13-12-24(22)29-14-16-30(17-15-29)26(31)11-8-21-7-10-25(32-21)19-4-2-1-3-5-19/h1-7,9-10,12-13,18H,8,11,14-17H2
InChIKeyDARZSLZUOILWSE-UHFFFAOYSA-N
XLogP5.43
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one with MolForge

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Related Compounds

1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9114353
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 27041646
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
3-(5-phenylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one
CID 9111348
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
The IUPAC name of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one (CID 31399591) is 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one is O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
The InChIKey is DARZSLZUOILWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-20-6-9-22-23(18-20)28-13-12-24(22)29-14-16-30(17-15-29)26(31)11-8-21-7-10-25(32-21)19-4-2-1-3-5-19/h1-7,9-10,12-13,18H,8,11,14-17H2.
What are the key properties of 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one?
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one has a molecular weight of 445.95 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one is sourced from PubChem (CID 31399591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).