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

C26H23ClN4 — CID 139234635

IUPACN-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
SMILESClc1ccc(/N=C/c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H23ClN4/c27-22-10-12-23(13-11-22)28-19-21-18-20-6-4-5-9-25(20)29-26(21)31-16-14-30(15-17-31)24-7-2-1-3-8-24/h1-13,18-19H,14-17H2/b28-19+
InChIKeyKNVMDHMBGXNQNC-TURZUDJPSA-N
MW426.95 g/mol
LogP5.97
Rot. Bonds4

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

N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine (PubChem CID 139234635) has the molecular formula C26H23ClN4 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
PubChem CID139234635
Molecular FormulaC26H23ClN4
Molecular Weight426.95 g/mol
Exact Mass426.16
IUPAC NameN-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
SMILESClc1ccc(/N=C/c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H23ClN4/c27-22-10-12-23(13-11-22)28-19-21-18-20-6-4-5-9-25(20)29-26(21)31-16-14-30(15-17-31)24-7-2-1-3-8-24/h1-13,18-19H,14-17H2/b28-19+
InChIKeyKNVMDHMBGXNQNC-TURZUDJPSA-N
XLogP5.97
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-(2-piperidin-1-ylquinolin-3-yl)methanimine
CID 2404385
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190
6-bromo-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 20983196
1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine
CID 690981
2-(4-cyclopropylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 61441804
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
2,4-difluoro-N-[(Z)-(2-morpholin-4-ylquinolin-3-yl)methylideneamino]aniline
CID 9112272
N-phenyl-3-(phenyliminomethyl)quinolin-2-amine
CID 146000832
5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
CID 50748686
(E)-N'-(4-chlorophenyl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-enimidamide
CID 59789896
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-1-ylquinazoline
CID 25144879
N-(4-chlorophenyl)-1-(1-phenylpyrazol-3-yl)methanimine
CID 2726821

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine (CID 139234635) is N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine is Clc1ccc(/N=C/c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
The InChIKey is KNVMDHMBGXNQNC-TURZUDJPSA-N. The full InChI is InChI=1S/C26H23ClN4/c27-22-10-12-23(13-11-22)28-19-21-18-20-6-4-5-9-25(20)29-26(21)31-16-14-30(15-17-31)24-7-2-1-3-8-24/h1-13,18-19H,14-17H2/b28-19+.
What are the key properties of N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine?
N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine has a molecular weight of 426.95 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine is sourced from PubChem (CID 139234635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).