N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline

C21H22N2 — CID 5473443

IUPACN,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H22N2/c1-3-23(4-2)19-13-10-17(11-14-19)9-12-18-15-16-22-21-8-6-5-7-20(18)21/h5-16H,3-4H2,1-2H3/b12-9+
InChIKeyRHVPFAMWEKAIHJ-FMIVXFBMSA-N
MW302.42 g/mol
LogP5.25
Rot. Bonds5

About N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline

N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline (PubChem CID 5473443) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
PubChem CID5473443
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H22N2/c1-3-23(4-2)19-13-10-17(11-14-19)9-12-18-15-16-22-21-8-6-5-7-20(18)21/h5-16H,3-4H2,1-2H3/b12-9+
InChIKeyRHVPFAMWEKAIHJ-FMIVXFBMSA-N
XLogP5.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.25
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline (CID 5473443) is N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline is CCN(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The InChIKey is RHVPFAMWEKAIHJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H22N2/c1-3-23(4-2)19-13-10-17(11-14-19)9-12-18-15-16-22-21-8-6-5-7-20(18)21/h5-16H,3-4H2,1-2H3/b12-9+.
What are the key properties of N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline has a molecular weight of 302.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline is sourced from PubChem (CID 5473443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).