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

C21H23N3O2 — CID 56659895

IUPAC2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
SMILESCc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C21H23N3O2/c1-14-20(15-4-3-5-17(25)12-15)22-19-7-6-16(13-18(19)21(14)26)24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11H2,1-2H3,(H,22,26)
InChIKeyKJQCLILRMFRZNN-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.96
Rot. Bonds2

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

2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one (PubChem CID 56659895) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
PubChem CID56659895
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
SMILESCc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C21H23N3O2/c1-14-20(15-4-3-5-17(25)12-15)22-19-7-6-16(13-18(19)21(14)26)24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11H2,1-2H3,(H,22,26)
InChIKeyKJQCLILRMFRZNN-UHFFFAOYSA-N
XLogP2.96
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one (CID 56659895) is 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one is Cc1c(-c2cccc(O)c2)[nH]c2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
The InChIKey is KJQCLILRMFRZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-20(15-4-3-5-17(25)12-15)22-19-7-6-16(13-18(19)21(14)26)24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11H2,1-2H3,(H,22,26).
What are the key properties of 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one?
2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one has a molecular weight of 349.43 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one is sourced from PubChem (CID 56659895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).