N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline

C24H30N2 — CID 5473834

IUPACN,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/C2C=Cc3cc(C)ccc3N2CC)cc1
InChIInChI=1S/C24H30N2/c1-5-25(6-2)22-13-9-20(10-14-22)11-15-23-16-12-21-18-19(4)8-17-24(21)26(23)7-3/h8-18,23H,5-7H2,1-4H3/b15-11+
InChIKeyYYPKZWRKEDPWOJ-RVDMUPIBSA-N
MW346.52 g/mol
LogP5.78
Rot. Bonds6

About N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline

N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline (PubChem CID 5473834) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline
PubChem CID5473834
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC NameN,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline
SMILESCCN(CC)c1ccc(/C=C/C2C=Cc3cc(C)ccc3N2CC)cc1
InChIInChI=1S/C24H30N2/c1-5-25(6-2)22-13-9-20(10-14-22)11-15-23-16-12-21-18-19(4)8-17-24(21)26(23)7-3/h8-18,23H,5-7H2,1-4H3/b15-11+
InChIKeyYYPKZWRKEDPWOJ-RVDMUPIBSA-N
XLogP5.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.78
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-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline (CID 5473834) is N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline is CCN(CC)c1ccc(/C=C/C2C=Cc3cc(C)ccc3N2CC)cc1.
What is the InChIKey of N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline?
The InChIKey is YYPKZWRKEDPWOJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C24H30N2/c1-5-25(6-2)22-13-9-20(10-14-22)11-15-23-16-12-21-18-19(4)8-17-24(21)26(23)7-3/h8-18,23H,5-7H2,1-4H3/b15-11+.
What are the key properties of N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline?
N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline has a molecular weight of 346.52 g/mol, XLogP of 5.78, 6 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-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline is sourced from PubChem (CID 5473834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).