(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone

C22H22ClN3O2 — CID 108764370

IUPAC(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc12
InChIInChI=1S/C22H22ClN3O2/c1-15-14-20(24-21-18(15)4-3-5-19(21)28-2)25-10-12-26(13-11-25)22(27)16-6-8-17(23)9-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyUGULRVLQLMQLFX-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.17
Rot. Bonds3

About (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108764370) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108764370
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc12
InChIInChI=1S/C22H22ClN3O2/c1-15-14-20(24-21-18(15)4-3-5-19(21)28-2)25-10-12-26(13-11-25)22(27)16-6-8-17(23)9-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyUGULRVLQLMQLFX-UHFFFAOYSA-N
XLogP4.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-nitrophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108741823
(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706
(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108809752
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764373
1-(5-chloro-2-methoxyphenyl)-4-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741931
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 108741833
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108764370) is (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone is COc1cccc2c(C)cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc12.
What is the InChIKey of (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is UGULRVLQLMQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-14-20(24-21-18(15)4-3-5-19(21)28-2)25-10-12-26(13-11-25)22(27)16-6-8-17(23)9-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 395.89 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108764370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).