6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C21H23N3O3 — CID 100934263

IUPAC6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-27-18-4-2-3-16(14-18)21(26)24-11-9-23(10-12-24)17-6-7-19-15(13-17)5-8-20(25)22-19/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,22,25)
InChIKeyNLHNDFNGDBYOEU-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.54
Rot. Bonds3

About 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 100934263) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID100934263
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-27-18-4-2-3-16(14-18)21(26)24-11-9-23(10-12-24)17-6-7-19-15(13-17)5-8-20(25)22-19/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,22,25)
InChIKeyNLHNDFNGDBYOEU-UHFFFAOYSA-N
XLogP2.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 38047191
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 13236324
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
6-[4-(4-ethylbenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 15789043
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
3-methoxybenzoic acid;(3-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 17368444

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 100934263) is 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is COc1cccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NLHNDFNGDBYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-18-4-2-3-16(14-18)21(26)24-11-9-23(10-12-24)17-6-7-19-15(13-17)5-8-20(25)22-19/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,22,25).
What are the key properties of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 100934263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).