[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C26H22ClN3O — CID 1023295

IUPAC[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H22ClN3O/c27-23-12-6-4-11-21(23)25-18-22(20-10-5-7-13-24(20)28-25)26(31)30-16-14-29(15-17-30)19-8-2-1-3-9-19/h1-13,18H,14-17H2
InChIKeyCXVJYDSWEXRDFB-UHFFFAOYSA-N
MW427.94 g/mol
LogP5.52
Rot. Bonds3

About [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1023295) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID1023295
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H22ClN3O/c27-23-12-6-4-11-21(23)25-18-22(20-10-5-7-13-24(20)28-25)26(31)30-16-14-29(15-17-30)19-8-2-1-3-9-19/h1-13,18H,14-17H2
InChIKeyCXVJYDSWEXRDFB-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-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
2-[4-[2-(2-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 99164423
[2-(2-chlorophenyl)quinolin-4-yl]-[4-hydroxy-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154863997
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
[2-(2-fluorophenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4557350
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
N-[4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]quinolin-2-yl]phenyl]propanamide
CID 46375237
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(2-chlorophenyl)quinolin-4-yl]methanone
CID 4750097
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 1023295) is [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is CXVJYDSWEXRDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O/c27-23-12-6-4-11-21(23)25-18-22(20-10-5-7-13-24(20)28-25)26(31)30-16-14-29(15-17-30)19-8-2-1-3-9-19/h1-13,18H,14-17H2.
What are the key properties of [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)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 [2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1023295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).