3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one

C21H23N3O — CID 56677053

IUPAC3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C21H23N3O/c1-15-20(16-6-4-3-5-7-16)22-19-9-8-17(14-18(19)21(15)25)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyYKTLZQSEVADCIU-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.26
Rot. Bonds2

About 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one

3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one (PubChem CID 56677053) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one
PubChem CID56677053
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C21H23N3O/c1-15-20(16-6-4-3-5-7-16)22-19-9-8-17(14-18(19)21(15)25)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyYKTLZQSEVADCIU-UHFFFAOYSA-N
XLogP3.26
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one (CID 56677053) is 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one is Cc1c(-c2ccccc2)[nH]c2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one?
The InChIKey is YKTLZQSEVADCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-20(16-6-4-3-5-7-16)22-19-9-8-17(14-18(19)21(15)25)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one?
3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 56677053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).