N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline

C25H22N2 — CID 6052008

IUPACN,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccnc3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C25H22N2/c1-27(2)23-13-9-19(10-14-23)8-11-21-16-17-26-25-15-12-22(18-24(21)25)20-6-4-3-5-7-20/h3-18H,1-2H3/b11-8+
InChIKeyZWRFGIWMSREHLY-DHZHZOJOSA-N
MW350.47 g/mol
LogP6.14
Rot. Bonds4

About N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline

N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline (PubChem CID 6052008) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline
PubChem CID6052008
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC NameN,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccnc3ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C25H22N2/c1-27(2)23-13-9-19(10-14-23)8-11-21-16-17-26-25-15-12-22(18-24(21)25)20-6-4-3-5-7-20/h3-18H,1-2H3/b11-8+
InChIKeyZWRFGIWMSREHLY-DHZHZOJOSA-N
XLogP6.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
CID 53315181
6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane
CID 142527643
2-[N-methyl-4-[(E)-2-quinolin-4-ylethenyl]anilino]acetic acid
CID 6052943
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
4-[(Z)-2-(6,8-dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline
CID 92527910
N,N-dimethyl-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]aniline
CID 3723624
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
CID 7085505
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
CID 53315199
4-[(E)-2-[2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-N,N-dimethylaniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 156734947
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
CID 92529957

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline (CID 6052008) is N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline is CN(C)c1ccc(/C=C/c2ccnc3ccc(-c4ccccc4)cc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline?
The InChIKey is ZWRFGIWMSREHLY-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H22N2/c1-27(2)23-13-9-19(10-14-23)8-11-21-16-17-26-25-15-12-22(18-24(21)25)20-6-4-3-5-7-20/h3-18H,1-2H3/b11-8+.
What are the key properties of N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline has a molecular weight of 350.47 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline is sourced from PubChem (CID 6052008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).