6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C22H22Cl2N4O2 — CID 32763317

IUPAC6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cccc(CN2CCN(C(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)CC2)c1
InChIInChI=1S/C22H22Cl2N4O2/c1-15-3-2-4-16(9-15)12-26-5-7-27(8-6-26)20(29)13-28-14-25-21-18(22(28)30)10-17(23)11-19(21)24/h2-4,9-11,14H,5-8,12-13H2,1H3
InChIKeyJJWBFXCBCZKJPV-UHFFFAOYSA-N
MW445.35 g/mol
LogP3.36
Rot. Bonds4

About 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 32763317) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID32763317
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1cccc(CN2CCN(C(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)CC2)c1
InChIInChI=1S/C22H22Cl2N4O2/c1-15-3-2-4-16(9-15)12-26-5-7-27(8-6-26)20(29)13-28-14-25-21-18(22(28)30)10-17(23)11-19(21)24/h2-4,9-11,14H,5-8,12-13H2,1H3
InChIKeyJJWBFXCBCZKJPV-UHFFFAOYSA-N
XLogP3.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

3-[2-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35273467
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate
CID 55386308
3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 39447640
6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 46674983
6-chloro-3-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 38963235
2-(4-chlorophenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366047
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531525
6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 18195115
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 32763317) is 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is Cc1cccc(CN2CCN(C(=O)Cn3cnc4c(Cl)cc(Cl)cc4c3=O)CC2)c1.
What is the InChIKey of 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is JJWBFXCBCZKJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-15-3-2-4-16(9-15)12-26-5-7-27(8-6-26)20(29)13-28-14-25-21-18(22(28)30)10-17(23)11-19(21)24/h2-4,9-11,14H,5-8,12-13H2,1H3.
What are the key properties of 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 445.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 32763317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).