4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one

C21H19Cl2N3O3 — CID 167441126

IUPAC4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccc(O)cc12
InChIInChI=1S/C21H19Cl2N3O3/c1-12-11-25(13-2-4-17(22)18(23)8-13)6-7-26(12)21(29)16-10-20(28)24-19-5-3-14(27)9-15(16)19/h2-5,8-10,12,27H,6-7,11H2,1H3,(H,24,28)
InChIKeyUDGUTRLAOYXGTF-UHFFFAOYSA-N
MW432.31 g/mol
LogP3.89
Rot. Bonds2

About 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one

4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one (PubChem CID 167441126) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one
PubChem CID167441126
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC Name4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one
SMILESCC1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccc(O)cc12
InChIInChI=1S/C21H19Cl2N3O3/c1-12-11-25(13-2-4-17(22)18(23)8-13)6-7-26(12)21(29)16-10-20(28)24-19-5-3-14(27)9-15(16)19/h2-5,8-10,12,27H,6-7,11H2,1H3,(H,24,28)
InChIKeyUDGUTRLAOYXGTF-UHFFFAOYSA-N
XLogP3.89
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one (CID 167441126) is 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one is CC1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cc(=O)[nH]c2ccc(O)cc12.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one?
The InChIKey is UDGUTRLAOYXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-12-11-25(13-2-4-17(22)18(23)8-13)6-7-26(12)21(29)16-10-20(28)24-19-5-3-14(27)9-15(16)19/h2-5,8-10,12,27H,6-7,11H2,1H3,(H,24,28).
What are the key properties of 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one?
4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one has a molecular weight of 432.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 167441126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).