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

C19H18N2 — CID 668053

IUPACN,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C19H18N2/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19/h3-14H,1-2H3/b10-7+
InChIKeyCIXDQQGMRYRUQA-JXMROGBWSA-N
MW274.37 g/mol
LogP4.47
Rot. Bonds3

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

N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline (PubChem CID 668053) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
PubChem CID668053
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
SMILESCN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C19H18N2/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19/h3-14H,1-2H3/b10-7+
InChIKeyCIXDQQGMRYRUQA-JXMROGBWSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.47
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-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline (CID 668053) is N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline is CN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
The InChIKey is CIXDQQGMRYRUQA-JXMROGBWSA-N. The full InChI is InChI=1S/C19H18N2/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19/h3-14H,1-2H3/b10-7+.
What are the key properties of N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline?
N,N-dimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline has a molecular weight of 274.37 g/mol, XLogP of 4.47, 3 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-quinolin-4-ylethenyl]aniline is sourced from PubChem (CID 668053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).