8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline

C20H20N4O3 — CID 2918634

IUPAC8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline
SMILESCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C20H20N4O3/c1-27-19-7-3-2-6-17(19)22-11-13-23(14-12-22)18-9-8-16(24(25)26)15-5-4-10-21-20(15)18/h2-10H,11-14H2,1H3
InChIKeyVEWZYHDNCFNGAI-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.48
Rot. Bonds4

About 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline

8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline (PubChem CID 2918634) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline.

Molecular Properties

Compound Name8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline
PubChem CID2918634
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline
SMILESCOc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C20H20N4O3/c1-27-19-7-3-2-6-17(19)22-11-13-23(14-12-22)18-9-8-16(24(25)26)15-5-4-10-21-20(15)18/h2-10H,11-14H2,1H3
InChIKeyVEWZYHDNCFNGAI-UHFFFAOYSA-N
XLogP3.48
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline?
The IUPAC name of 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline (CID 2918634) is 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline.
What is the SMILES notation for 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline?
The canonical SMILES for 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline is COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1.
What is the InChIKey of 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline?
The InChIKey is VEWZYHDNCFNGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-19-7-3-2-6-17(19)22-11-13-23(14-12-22)18-9-8-16(24(25)26)15-5-4-10-21-20(15)18/h2-10H,11-14H2,1H3.
What are the key properties of 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline?
8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline has a molecular weight of 364.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-methoxyphenyl)piperazin-1-yl]-5-nitroquinoline is sourced from PubChem (CID 2918634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).