ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline

C20H22N2O — CID 177342284

IUPACethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline
SMILESCC.COc1cc(N)ccc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C18H16N2O.C2H6/c1-21-18-12-15(19)9-8-14(18)7-6-13-10-11-20-17-5-3-2-4-16(13)17;1-2/h2-12H,19H2,1H3;1-2H3/b7-6+;
InChIKeyRBWUGJGLBXMWQW-UHDJGPCESA-N
MW306.41 g/mol
LogP5.02
Rot. Bonds3

About ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline

ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline (PubChem CID 177342284) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline.

Molecular Properties

Compound Nameethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline
PubChem CID177342284
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Nameethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline
SMILESCC.COc1cc(N)ccc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C18H16N2O.C2H6/c1-21-18-12-15(19)9-8-14(18)7-6-13-10-11-20-17-5-3-2-4-16(13)17;1-2/h2-12H,19H2,1H3;1-2H3/b7-6+;
InChIKeyRBWUGJGLBXMWQW-UHDJGPCESA-N
XLogP5.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
CID 54599355
2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
CID 92529957
(E)-3-quinolin-4-yl-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 10383167
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
4-methoxyquinoline;4-methylquinoline
CID 71009048
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
CID 58870156
2-methoxy-5-quinolin-4-yloxyaniline
CID 103202072
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
4-acridin-9-yl-3-methoxyaniline
CID 21106052
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]quinoline
CID 5478230

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The IUPAC name of ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline (CID 177342284) is ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline.
What is the SMILES notation for ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The canonical SMILES for ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline is CC.COc1cc(N)ccc1/C=C/c1ccnc2ccccc12.
What is the InChIKey of ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The InChIKey is RBWUGJGLBXMWQW-UHDJGPCESA-N. The full InChI is InChI=1S/C18H16N2O.C2H6/c1-21-18-12-15(19)9-8-14(18)7-6-13-10-11-20-17-5-3-2-4-16(13)17;1-2/h2-12H,19H2,1H3;1-2H3/b7-6+;.
What are the key properties of ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline?
ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline has a molecular weight of 306.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-4-[(E)-2-quinolin-4-ylethenyl]aniline is sourced from PubChem (CID 177342284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).