[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C21H19Cl2FN4O — CID 83282805

IUPAC[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C21H19Cl2FN4O/c1-2-18-25-19-16(11-14(22)12-17(19)23)20(26-18)27-7-9-28(10-8-27)21(29)13-3-5-15(24)6-4-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyKLGTUSFYLLPSOB-UHFFFAOYSA-N
MW433.31 g/mol
LogP4.60
Rot. Bonds3

About [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 83282805) has the molecular formula C21H19Cl2FN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID83282805
Molecular FormulaC21H19Cl2FN4O
Molecular Weight433.31 g/mol
Exact Mass432.09
IUPAC Name[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C21H19Cl2FN4O/c1-2-18-25-19-16(11-14(22)12-17(19)23)20(26-18)27-7-9-28(10-8-27)21(29)13-3-5-15(24)6-4-13/h3-6,11-12H,2,7-10H2,1H3
InChIKeyKLGTUSFYLLPSOB-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)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

4-(6,8-dichloro-2-ethylquinazolin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 83282802
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
1-[4-[6-chloro-2-ethyl-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 167290413
[4-(7-chloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 42809335
(3,4-dichlorophenyl)-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42799793
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113078685
[4-(2-chloro-5-ethylbenzoyl)-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 167851258
[4-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 67247043

Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 83282805) is [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is CCc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is KLGTUSFYLLPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2FN4O/c1-2-18-25-19-16(11-14(22)12-17(19)23)20(26-18)27-7-9-28(10-8-27)21(29)13-3-5-15(24)6-4-13/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 433.31 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dichloro-2-ethylquinazolin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 83282805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).