[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

C26H22ClN3O — CID 57389219

IUPAC[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H22ClN3O/c27-22-10-11-23-24(18-22)28-13-12-25(23)29-14-16-30(17-15-29)26(31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18H,14-17H2
InChIKeyCVAVHTQHMWVKAM-UHFFFAOYSA-N
MW427.94 g/mol
LogP5.52
Rot. Bonds3

About [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 57389219) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID57389219
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H22ClN3O/c27-22-10-11-23-24(18-22)28-13-12-25(23)29-14-16-30(17-15-29)26(31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18H,14-17H2
InChIKeyCVAVHTQHMWVKAM-UHFFFAOYSA-N
XLogP5.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
CID 31399795
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 2964859
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 31399591
5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
CID 10816810
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]hexan-1-one
CID 57389220
1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one
CID 10438408
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 26452830

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 57389219) is [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is CVAVHTQHMWVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O/c27-22-10-11-23-24(18-22)28-13-12-25(23)29-14-16-30(17-15-29)26(31)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-13,18H,14-17H2.
What are the key properties of [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 427.94 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 57389219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).