2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline

C20H20N2O — CID 92529957

IUPAC2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
SMILESCOc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C
InChIInChI=1S/C20H20N2O/c1-22(2)19-11-9-15(14-20(19)23-3)8-10-16-12-13-21-18-7-5-4-6-17(16)18/h4-14H,1-3H3/b10-8-
InChIKeyXRJTZHYLYFIJKG-NTMALXAHSA-N
MW304.39 g/mol
LogP4.48
Rot. Bonds4

About 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline

2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline (PubChem CID 92529957) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
PubChem CID92529957
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
SMILESCOc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C
InChIInChI=1S/C20H20N2O/c1-22(2)19-11-9-15(14-20(19)23-3)8-10-16-12-13-21-18-7-5-4-6-17(16)18/h4-14H,1-3H3/b10-8-
InChIKeyXRJTZHYLYFIJKG-NTMALXAHSA-N
XLogP4.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
CID 54599355
ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline
CID 177342284
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
CID 53315181
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline;hydrochloride
CID 163332896
(E)-3-quinolin-4-yl-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 10383167
trimethyl-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]azanium
CID 53315508
2-[N-methyl-4-[(E)-2-quinolin-4-ylethenyl]anilino]acetic acid
CID 6052943
[4-(2-quinolin-4-ylethenyl)phenyl] 2-methylprop-2-enoate
CID 67642665
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
4-[(Z)-prop-1-enyl]quinoline
CID 89064507

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The IUPAC name of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline (CID 92529957) is 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The canonical SMILES for 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline is COc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The InChIKey is XRJTZHYLYFIJKG-NTMALXAHSA-N. The full InChI is InChI=1S/C20H20N2O/c1-22(2)19-11-9-15(14-20(19)23-3)8-10-16-12-13-21-18-7-5-4-6-17(16)18/h4-14H,1-3H3/b10-8-.
What are the key properties of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline has a molecular weight of 304.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline is sourced from PubChem (CID 92529957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).