3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one

C22H23N3O3 — CID 15675285

IUPAC3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1
InChIInChI=1S/C22H23N3O3/c1-15-7-8-18-16(13-15)21(26)17(14-23-18)22(27)25-11-9-24(10-12-25)19-5-3-4-6-20(19)28-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyQTFICBHMDWURKY-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.81
Rot. Bonds3

About 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one (PubChem CID 15675285) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
PubChem CID15675285
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1
InChIInChI=1S/C22H23N3O3/c1-15-7-8-18-16(13-15)21(26)17(14-23-18)22(27)25-11-9-24(10-12-25)19-5-3-4-6-20(19)28-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)
InChIKeyQTFICBHMDWURKY-UHFFFAOYSA-N
XLogP2.81
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate
CID 167782706
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 113208075
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26534552
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-1H-quinoline-6-sulfinic acid
CID 130182397

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one (CID 15675285) is 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one is COc1ccccc1N1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is QTFICBHMDWURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-7-8-18-16(13-15)21(26)17(14-23-18)22(27)25-11-9-24(10-12-25)19-5-3-4-6-20(19)28-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one?
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 15675285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).