2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one

C22H23N3O2 — CID 122565989

IUPAC2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2[nH]1
InChIInChI=1S/C22H23N3O2/c1-15-14-20(26)19-5-3-4-18(21(19)23-15)16-6-8-17(9-7-16)22(27)25-12-10-24(2)11-13-25/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyFRFHTCTUTLJYIB-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.89
Rot. Bonds2

About 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one

2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one (PubChem CID 122565989) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one
PubChem CID122565989
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one
SMILESCc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2[nH]1
InChIInChI=1S/C22H23N3O2/c1-15-14-20(26)19-5-3-4-18(21(19)23-15)16-6-8-17(9-7-16)22(27)25-12-10-24(2)11-13-25/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyFRFHTCTUTLJYIB-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]isoquinolin-1-one
CID 134258753
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
7-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,7-naphthyridin-8-one
CID 134258777
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
4-(4-tert-butylphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 122191233
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
CID 174584749
CID 174584749
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one?
The IUPAC name of 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one (CID 122565989) is 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one is Cc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)c2[nH]1.
What is the InChIKey of 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one?
The InChIKey is FRFHTCTUTLJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-14-20(26)19-5-3-4-18(21(19)23-15)16-6-8-17(9-7-16)22(27)25-12-10-24(2)11-13-25/h3-9,14H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one?
2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 122565989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).