2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one

C23H27N3O — CID 2240799

IUPAC2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C23H27N3O/c1-16-13-17(2)22-20(14-16)23(27)21(18(3)24-22)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyBEVCRDPNHOIONG-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.78
Rot. Bonds3

About 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one

2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 2240799) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one
PubChem CID2240799
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C23H27N3O/c1-16-13-17(2)22-20(14-16)23(27)21(18(3)24-22)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyBEVCRDPNHOIONG-UHFFFAOYSA-N
XLogP3.78
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one (CID 2240799) is 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is BEVCRDPNHOIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-13-17(2)22-20(14-16)23(27)21(18(3)24-22)15-25-9-11-26(12-10-25)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,24,27).
What are the key properties of 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one?
2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 361.49 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 2240799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).