8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one

C19H18Cl2N4O — CID 155517633

IUPAC8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCN1CCN(c2nc3c(Cl)cccc3c(=O)n2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18Cl2N4O/c1-23-9-11-24(12-10-23)19-22-17-15(3-2-4-16(17)21)18(26)25(19)14-7-5-13(20)6-8-14/h2-8H,9-12H2,1H3
InChIKeyBSMOCCLSYYZQDX-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.44
Rot. Bonds2

About 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one

8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one (PubChem CID 155517633) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one
PubChem CID155517633
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCN1CCN(c2nc3c(Cl)cccc3c(=O)n2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18Cl2N4O/c1-23-9-11-24(12-10-23)19-22-17-15(3-2-4-16(17)21)18(26)25(19)14-7-5-13(20)6-8-14/h2-8H,9-12H2,1H3
InChIKeyBSMOCCLSYYZQDX-UHFFFAOYSA-N
XLogP3.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-8-(4-methylpiperazin-1-yl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 139668286
8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
CID 20922963
methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 50840907
2-amino-8-chloro-3-methylquinazolin-4-one
CID 84780957
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
4-(4-chlorophenyl)-11-methyl-5-piperidin-1-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 2032419
8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 67073725
2,5-dichloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 141114879
1-[4-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174765758
2-(2-chlorophenyl)-8-methyl-3-phenylquinazolin-4-one
CID 155671969
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634870
2-(4-chlorophenyl)-4-[4-(4-hydroxyphenyl)phenoxy]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 58585176

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one (CID 155517633) is 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one is CN1CCN(c2nc3c(Cl)cccc3c(=O)n2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is BSMOCCLSYYZQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-23-9-11-24(12-10-23)19-22-17-15(3-2-4-16(17)21)18(26)25(19)14-7-5-13(20)6-8-14/h2-8H,9-12H2,1H3.
What are the key properties of 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one?
8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 389.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 155517633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).