N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline

C21H20N2 — CID 53315181

IUPACN,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
SMILESCN(C)c1ccc(/C=C\C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H20N2/c1-23(2)19-13-11-17(12-14-19)7-3-4-8-18-15-16-22-21-10-6-5-9-20(18)21/h3-16H,1-2H3/b7-3-,8-4-
InChIKeyKSEFXZWTAXCYMY-VHOZIDCHSA-N
MW300.41 g/mol
LogP5.03
Rot. Bonds4

About N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline

N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline (PubChem CID 53315181) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
PubChem CID53315181
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline
SMILESCN(C)c1ccc(/C=C\C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C21H20N2/c1-23(2)19-13-11-17(12-14-19)7-3-4-8-18-15-16-22-21-10-6-5-9-20(18)21/h3-16H,1-2H3/b7-3-,8-4-
InChIKeyKSEFXZWTAXCYMY-VHOZIDCHSA-N
XLogP5.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline with MolForge

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Related Compounds

4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]quinolin-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 20724554
N,N-dimethyl-4-[(E)-2-(6-phenylquinolin-4-yl)ethenyl]aniline
CID 6052008
N,N-dimethyl-4-(quinolin-4-ylmethylideneamino)aniline
CID 53315578
2-[N-methyl-4-[(E)-2-quinolin-4-ylethenyl]anilino]acetic acid
CID 6052943
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
trimethyl-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]azanium
CID 53315508
N-methyl-N-[(Z)-quinolin-4-ylmethylideneamino]aniline
CID 6179003
N,N-dihexyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
CID 6242352

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline (CID 53315181) is N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline is CN(C)c1ccc(/C=C\C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline?
The InChIKey is KSEFXZWTAXCYMY-VHOZIDCHSA-N. The full InChI is InChI=1S/C21H20N2/c1-23(2)19-13-11-17(12-14-19)7-3-4-8-18-15-16-22-21-10-6-5-9-20(18)21/h3-16H,1-2H3/b7-3-,8-4-.
What are the key properties of N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline?
N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline has a molecular weight of 300.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1Z,3Z)-4-quinolin-4-ylbuta-1,3-dienyl]aniline is sourced from PubChem (CID 53315181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).