1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

C21H20ClFN4O — CID 137348773

IUPAC1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3cc(-c4ccccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3
InChIKeyJPFKOCMCIFOGHK-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.15
Rot. Bonds3

About 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 137348773) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID137348773
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ncnc3cc(-c4ccccc4F)c(Cl)cc23)CC1
InChIInChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3
InChIKeyJPFKOCMCIFOGHK-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one 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

AV-412 free base
CID 9806229
4-(2-chlorophenyl)-N-ethyl-N-[(4-methylphenyl)methyl]quinazoline-2-carboxamide
CID 86276126
N-benzyl-4-(2-chlorophenyl)-N-ethylquinazoline-2-carboxamide
CID 86276128
6-Chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
CID 659436
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 11246455
6-chloro-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178342
6-chloro-N-[(3,4-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25179122
1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-piperazin-2-one
CID 44383519
1-(2-chloro-4-fluorobenzyl)-N-[4-({[2-(dimethylamino)-7-methylquinazolin-4-yl]amino}methyl)phenyl]piperidine-4-carboxamide
CID 45487420
(R)-2-amino-3-(3-chlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52946401
(R)-2-amino-3-(2,4-dichlorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52946402
ER-176
CID 57521383

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one (CID 137348773) is 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ncnc3cc(-c4ccccc4F)c(Cl)cc23)CC1.
What is the InChIKey of 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is JPFKOCMCIFOGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-19(16)24-13-25-21)14-5-3-4-6-18(14)23/h3-6,11-13H,2,7-10H2,1H3.
What are the key properties of 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 398.87 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 137348773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).