[2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C27H25N3O2 — CID 2334534

IUPAC[2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25N3O2/c1-32-22-13-11-20(12-14-22)26-19-24(23-9-5-6-10-25(23)28-26)27(31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3
InChIKeySQFODJWPGSAXQN-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.87
Rot. Bonds4

About [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2334534) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID2334534
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name[2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H25N3O2/c1-32-22-13-11-20(12-14-22)26-19-24(23-9-5-6-10-25(23)28-26)27(31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3
InChIKeySQFODJWPGSAXQN-UHFFFAOYSA-N
XLogP4.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 2334534) is [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SQFODJWPGSAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-32-22-13-11-20(12-14-22)26-19-24(23-9-5-6-10-25(23)28-26)27(31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 423.52 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2334534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).