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

C21H21N3O3 — CID 2102546

IUPAC4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-16-8-6-15(7-9-16)23-10-12-24(13-11-23)21(26)18-14-20(25)22-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyHWQXSFIHOFYVQC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.50
Rot. Bonds3

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

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 2102546) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID2102546
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-16-8-6-15(7-9-16)23-10-12-24(13-11-23)21(26)18-14-20(25)22-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyHWQXSFIHOFYVQC-UHFFFAOYSA-N
XLogP2.50
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4583088
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 17489095
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 110856456
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 2102546) is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one is COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is HWQXSFIHOFYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-16-8-6-15(7-9-16)23-10-12-24(13-11-23)21(26)18-14-20(25)22-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 2102546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).