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

C22H25N3O — CID 730822

IUPAC6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccccc3)c(CN3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C22H25N3O/c1-16-8-9-20-18(14-16)22(26)19(15-25-12-10-24(2)11-13-25)21(23-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyMQBUUXCSDWKGFR-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.25
Rot. Bonds3

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

6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one (PubChem CID 730822) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
PubChem CID730822
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccccc3)c(CN3CCN(C)CC3)c(=O)c2c1
InChIInChI=1S/C22H25N3O/c1-16-8-9-20-18(14-16)22(26)19(15-25-12-10-24(2)11-13-25)21(23-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyMQBUUXCSDWKGFR-UHFFFAOYSA-N
XLogP3.25
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one (CID 730822) is 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one is Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCN(C)CC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
The InChIKey is MQBUUXCSDWKGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-8-9-20-18(14-16)22(26)19(15-25-12-10-24(2)11-13-25)21(23-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one has a molecular weight of 347.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).