[2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C25H23N5O2 — CID 1027508

IUPAC[2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N5O2/c1-32-19-7-4-6-18(16-19)23-17-21(20-8-2-3-9-22(20)28-23)24(31)29-12-14-30(15-13-29)25-26-10-5-11-27-25/h2-11,16-17H,12-15H2,1H3
InChIKeyQLWPZZSDNGQLHY-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.66
Rot. Bonds4

About [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1027508) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1027508
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name[2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N5O2/c1-32-19-7-4-6-18(16-19)23-17-21(20-8-2-3-9-22(20)28-23)24(31)29-12-14-30(15-13-29)25-26-10-5-11-27-25/h2-11,16-17H,12-15H2,1H3
InChIKeyQLWPZZSDNGQLHY-UHFFFAOYSA-N
XLogP3.66
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1027508) is [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QLWPZZSDNGQLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-19-7-4-6-18(16-19)23-17-21(20-8-2-3-9-22(20)28-23)24(31)29-12-14-30(15-13-29)25-26-10-5-11-27-25/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 425.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1027508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).