(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C25H20ClFN4O — CID 1261917

IUPAC(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)nc2c(Cl)cccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H20ClFN4O/c26-20-5-3-4-18-19(16-22(29-24(18)20)17-8-10-28-11-9-17)25(32)31-14-12-30(13-15-31)23-7-2-1-6-21(23)27/h1-11,16H,12-15H2
InChIKeyPADNNJGYXZWNRK-UHFFFAOYSA-N
MW446.91 g/mol
LogP5.05
Rot. Bonds3

About (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 1261917) has the molecular formula C25H20ClFN4O and a molecular weight of 446.91 g/mol. Its IUPAC name is (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID1261917
Molecular FormulaC25H20ClFN4O
Molecular Weight446.91 g/mol
Exact Mass446.13
IUPAC Name(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)nc2c(Cl)cccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H20ClFN4O/c26-20-5-3-4-18-19(16-22(29-24(18)20)17-8-10-28-11-9-17)25(32)31-14-12-30(13-15-31)23-7-2-1-6-21(23)27/h1-11,16H,12-15H2
InChIKeyPADNNJGYXZWNRK-UHFFFAOYSA-N
XLogP5.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.91
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220619
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857

Frequently Asked Questions

What is the IUPAC name of (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 1261917) is (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccncc2)nc2c(Cl)cccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is PADNNJGYXZWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O/c26-20-5-3-4-18-19(16-22(29-24(18)20)17-8-10-28-11-9-17)25(32)31-14-12-30(13-15-31)23-7-2-1-6-21(23)27/h1-11,16H,12-15H2.
What are the key properties of (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 446.91 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1261917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).