6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one

C22H27N3O2+2 — CID 4054264

IUPAC6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CC[NH+](C)CC3)c(=O)c2c1
InChIInChI=1S/C22H25N3O2/c1-24-10-12-25(13-11-24)15-19-21(16-6-4-3-5-7-16)23-20-9-8-17(27-2)14-18(20)22(19)26/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+2
InChIKeyVEGAGSHXCWPRNY-UHFFFAOYSA-P
MW365.48 g/mol
LogP0.12
Rot. Bonds4

About 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one

6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one (PubChem CID 4054264) has the molecular formula C22H27N3O2+2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
PubChem CID4054264
Molecular FormulaC22H27N3O2+2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CC[NH+](C)CC3)c(=O)c2c1
InChIInChI=1S/C22H25N3O2/c1-24-10-12-25(13-11-24)15-19-21(16-6-4-3-5-7-16)23-20-9-8-17(27-2)14-18(20)22(19)26/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+2
InChIKeyVEGAGSHXCWPRNY-UHFFFAOYSA-P
XLogP0.12
TPSA50.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 4532113
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3601199
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 10042516
CID 53376627
CID 53376627
3,8-diethyl-2,7-bis(4-methoxyphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781786
2-(4-methylpiperazine-1,4-diium-1-yl)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 6997322
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 7447854
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576
3-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]propanoic acid
CID 165440970
ethyl 6-(dimethylamino)-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576482

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one (CID 4054264) is 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one is COc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CC[NH+](C)CC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
The InChIKey is VEGAGSHXCWPRNY-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H25N3O2/c1-24-10-12-25(13-11-24)15-19-21(16-6-4-3-5-7-16)23-20-9-8-17(27-2)14-18(20)22(19)26/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+2.
What are the key properties of 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one?
6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one has a molecular weight of 365.48 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 4054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).