[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone

C23H21ClFN3O3 — CID 55724482

IUPAC[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)c4cc(Cl)ccc4F)CC3)c(C)nc2c1
InChIInChI=1S/C23H21ClFN3O3/c1-14-18(11-15-3-5-17(31-2)13-21(15)26-14)22(29)27-7-9-28(10-8-27)23(30)19-12-16(24)4-6-20(19)25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyQYOCDNQOKQHISO-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.94
Rot. Bonds3

About [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone

[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone (PubChem CID 55724482) has the molecular formula C23H21ClFN3O3 and a molecular weight of 441.89 g/mol. Its IUPAC name is [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
PubChem CID55724482
Molecular FormulaC23H21ClFN3O3
Molecular Weight441.89 g/mol
Exact Mass441.13
IUPAC Name[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(C(=O)c4cc(Cl)ccc4F)CC3)c(C)nc2c1
InChIInChI=1S/C23H21ClFN3O3/c1-14-18(11-15-3-5-17(31-2)13-21(15)26-14)22(29)27-7-9-28(10-8-27)23(30)19-12-16(24)4-6-20(19)25/h3-6,11-13H,7-10H2,1-2H3
InChIKeyQYOCDNQOKQHISO-UHFFFAOYSA-N
XLogP3.94
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 78902446
[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55977388
[4-(1-hydroxyethyl)piperidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 111429757
(2S)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 55940554
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890886
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 38322173
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-3-yl)methanone
CID 43037207
1-(7-methoxy-2-methylquinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519367
ethyl 4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 46808248
(7-methoxy-2-methylquinolin-3-yl)-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42281291

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
The IUPAC name of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone (CID 55724482) is [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone is COc1ccc2cc(C(=O)N3CCN(C(=O)c4cc(Cl)ccc4F)CC3)c(C)nc2c1.
What is the InChIKey of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
The InChIKey is QYOCDNQOKQHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3/c1-14-18(11-15-3-5-17(31-2)13-21(15)26-14)22(29)27-7-9-28(10-8-27)23(30)19-12-16(24)4-6-20(19)25/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone?
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone has a molecular weight of 441.89 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone is sourced from PubChem (CID 55724482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).