N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide

C35H26N4 — CID 92527917

IUPACN'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide
SMILESC(=C\c1ccnc2ccccc12)\c1ccc(N/C=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1
InChIInChI=1S/C35H26N4/c1-3-7-34-32(5-1)28(21-23-36-34)15-9-26-11-17-30(18-12-26)38-25-39-31-19-13-27(14-20-31)10-16-29-22-24-37-35-8-4-2-6-33(29)35/h1-25H,(H,38,39)/b15-9-,16-10+
InChIKeyNYWLOIFNDMKLCD-CKOAPEAFSA-N
MW502.62 g/mol
LogP8.90
Rot. Bonds7

About N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide

N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide (PubChem CID 92527917) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide
PubChem CID92527917
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC NameN'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide
SMILESC(=C\c1ccnc2ccccc12)\c1ccc(N/C=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1
InChIInChI=1S/C35H26N4/c1-3-7-34-32(5-1)28(21-23-36-34)15-9-26-11-17-30(18-12-26)38-25-39-31-19-13-27(14-20-31)10-16-29-22-24-37-35-8-4-2-6-33(29)35/h1-25H,(H,38,39)/b15-9-,16-10+
InChIKeyNYWLOIFNDMKLCD-CKOAPEAFSA-N
XLogP8.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide with MolForge

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Related Compounds

4-(2-quinolin-4-ylethenyl)phenol
CID 619025
N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-1-thiophen-2-ylmethanimine
CID 53315556
[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea
CID 54607332
1-(1,3-benzodioxol-5-yl)-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]methanimine
CID 53315559
N-(2-quinolin-4-ylethenyl)aniline
CID 154091983
trimethyl-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]azanium
CID 53315508
(4S)-4-amino-5-oxo-5-[4-(2-quinolin-4-ylethenyl)anilino]pentanoic acid
CID 66963331
N-(4-chlorophenyl)-1-quinolin-4-ylmethanimine
CID 163183574
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
2-[N-methyl-4-[(E)-2-quinolin-4-ylethenyl]anilino]acetic acid
CID 6052943
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline;hydrochloride
CID 163332896
N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline
CID 53315578

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide?
The IUPAC name of N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide (CID 92527917) is N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide.
What is the SMILES notation for N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide?
The canonical SMILES for N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide is C(=C\c1ccnc2ccccc12)\c1ccc(N/C=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1.
What is the InChIKey of N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide?
The InChIKey is NYWLOIFNDMKLCD-CKOAPEAFSA-N. The full InChI is InChI=1S/C35H26N4/c1-3-7-34-32(5-1)28(21-23-36-34)15-9-26-11-17-30(18-12-26)38-25-39-31-19-13-27(14-20-31)10-16-29-22-24-37-35-8-4-2-6-33(29)35/h1-25H,(H,38,39)/b15-9-,16-10+.
What are the key properties of N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide?
N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide has a molecular weight of 502.62 g/mol, XLogP of 8.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide is sourced from PubChem (CID 92527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).