4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one

C22H23N3O2 — CID 2443805

IUPAC4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C22H23N3O2/c1-15-6-5-9-20(16(15)2)24-10-12-25(13-11-24)22(27)18-14-21(26)23-19-8-4-3-7-17(18)19/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyIHHUWLSLYRUBHD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.11
Rot. Bonds2

About 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one

4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 2443805) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID2443805
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C
InChIInChI=1S/C22H23N3O2/c1-15-6-5-9-20(16(15)2)24-10-12-25(13-11-24)22(27)18-14-21(26)23-19-8-4-3-7-17(18)19/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyIHHUWLSLYRUBHD-UHFFFAOYSA-N
XLogP3.11
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
PJ-34
CID 4858
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
6-(4-([1,1'-biphenyl]-2-yl)piperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643664
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
1-Benzoyl-4-phenylpiperazine
CID 258240
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 236871
1-Phenethylamino-3H-naphtho(1,2,3-de)quinoline-2,7-dione
CID 1080352
ST50052723
CID 721301
Darenzepine
CID 9819661
6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643870

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 2443805) is 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one is Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is IHHUWLSLYRUBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-5-9-20(16(15)2)24-10-12-25(13-11-24)22(27)18-14-21(26)23-19-8-4-3-7-17(18)19/h3-9,14H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 2443805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).