7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione

C20H18ClN3O3 — CID 171715791

IUPAC7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
SMILESCOc1ccc(N2CCN(C3=C(Cl)C(=O)c4ncccc4C3=O)CC2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-27-14-6-4-13(5-7-14)23-9-11-24(12-10-23)18-16(21)20(26)17-15(19(18)25)3-2-8-22-17/h2-8H,9-12H2,1H3
InChIKeyWSYKTLXHXCUNGY-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.74
Rot. Bonds3

About 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione

7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione (PubChem CID 171715791) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
PubChem CID171715791
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
SMILESCOc1ccc(N2CCN(C3=C(Cl)C(=O)c4ncccc4C3=O)CC2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-27-14-6-4-13(5-7-14)23-9-11-24(12-10-23)18-16(21)20(26)17-15(19(18)25)3-2-8-22-17/h2-8H,9-12H2,1H3
InChIKeyWSYKTLXHXCUNGY-UHFFFAOYSA-N
XLogP2.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione
CID 171715862
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400771
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
9-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrido[3,2-b]phenazine-5,12-dione
CID 155690289
6-(4-phenylpiperazin-1-yl)quinoline-5,8-dione
CID 66574354
8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine
CID 91953450
9-(4-methylsulfonylpiperazin-1-yl)pyrido[3,2-b]phenazine-5,12-dione
CID 162512367
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
1-(3-chloropropylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 43654044
[4-(4-methoxyphenyl)piperazin-1-yl]-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 50832568

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
The IUPAC name of 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione (CID 171715791) is 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione.
What is the SMILES notation for 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
The canonical SMILES for 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione is COc1ccc(N2CCN(C3=C(Cl)C(=O)c4ncccc4C3=O)CC2)cc1.
What is the InChIKey of 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
The InChIKey is WSYKTLXHXCUNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-14-6-4-13(5-7-14)23-9-11-24(12-10-23)18-16(21)20(26)17-15(19(18)25)3-2-8-22-17/h2-8H,9-12H2,1H3.
What are the key properties of 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione?
7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione has a molecular weight of 383.84 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-5,8-dione is sourced from PubChem (CID 171715791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).