N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine

C27H26N4O — CID 139234636

IUPACN-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
SMILESCOc1ccc(/N=C/c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H26N4O/c1-32-25-13-11-23(12-14-25)28-20-22-19-21-7-5-6-10-26(21)29-27(22)31-17-15-30(16-18-31)24-8-3-2-4-9-24/h2-14,19-20H,15-18H2,1H3/b28-20+
InChIKeyOMVRJRGUAMLACU-VFCFBJKWSA-N
MW422.53 g/mol
LogP5.32
Rot. Bonds5

About N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine

N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine (PubChem CID 139234636) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
PubChem CID139234636
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC NameN-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
SMILESCOc1ccc(/N=C/c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H26N4O/c1-32-25-13-11-23(12-14-25)28-20-22-19-21-7-5-6-10-26(21)29-27(22)31-17-15-30(16-18-31)24-8-3-2-4-9-24/h2-14,19-20H,15-18H2,1H3/b28-20+
InChIKeyOMVRJRGUAMLACU-VFCFBJKWSA-N
XLogP5.32
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine (CID 139234636) is N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine is COc1ccc(/N=C/c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
The InChIKey is OMVRJRGUAMLACU-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H26N4O/c1-32-25-13-11-23(12-14-25)28-20-22-19-21-7-5-6-10-26(21)29-27(22)31-17-15-30(16-18-31)24-8-3-2-4-9-24/h2-14,19-20H,15-18H2,1H3/b28-20+.
What are the key properties of N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine has a molecular weight of 422.53 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine is sourced from PubChem (CID 139234636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).