N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline

C27H36N4 — CID 175696795

IUPACN,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline
SMILESCCN(CC)c1ccc(C=CC2C=Cc3ccc(N4CCN(C)CC4)cc3N2C)cc1
InChIInChI=1S/C27H36N4/c1-5-30(6-2)25-13-8-22(9-14-25)7-12-24-15-10-23-11-16-26(21-27(23)29(24)4)31-19-17-28(3)18-20-31/h7-16,21,24H,5-6,17-20H2,1-4H3
InChIKeyCQBXYKZTQRWMNI-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.83
Rot. Bonds6

About N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline

N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline (PubChem CID 175696795) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline
PubChem CID175696795
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC NameN,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline
SMILESCCN(CC)c1ccc(C=CC2C=Cc3ccc(N4CCN(C)CC4)cc3N2C)cc1
InChIInChI=1S/C27H36N4/c1-5-30(6-2)25-13-8-22(9-14-25)7-12-24-15-10-23-11-16-26(21-27(23)29(24)4)31-19-17-28(3)18-20-31/h7-16,21,24H,5-6,17-20H2,1-4H3
InChIKeyCQBXYKZTQRWMNI-UHFFFAOYSA-N
XLogP4.83
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-[(E)-2-(1-ethyl-6-methyl-2H-quinolin-2-yl)ethenyl]aniline
CID 5473834
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
N'-[(Z)-1-[4-(diethylamino)phenyl]-2-sulfanylethenyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]methanimidamide
CID 142265971
4-[(E)-2-[3-[(E)-2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 102038782
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-diphenylaniline;1-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]-4-methylpiperazine
CID 122698648
4-[(E)-2-[2-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-methyl-2-pyridinyl]-6-methyl-4-pyridinyl]ethenyl]-N,N-diethylaniline
CID 101368819
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline
CID 70424229
4-[(E)-2-(3,5-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 122629396
(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine
CID 117335129
2-(3,4-difluorophenyl)sulfonyl-N,N-diethyl-5-(4-methyl-1,4-diazepan-1-yl)aniline
CID 18508909

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline (CID 175696795) is N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline is CCN(CC)c1ccc(C=CC2C=Cc3ccc(N4CCN(C)CC4)cc3N2C)cc1.
What is the InChIKey of N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline?
The InChIKey is CQBXYKZTQRWMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4/c1-5-30(6-2)25-13-8-22(9-14-25)7-12-24-15-10-23-11-16-26(21-27(23)29(24)4)31-19-17-28(3)18-20-31/h7-16,21,24H,5-6,17-20H2,1-4H3.
What are the key properties of N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline?
N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline has a molecular weight of 416.61 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[1-methyl-7-(4-methylpiperazin-1-yl)-2H-quinolin-2-yl]ethenyl]aniline is sourced from PubChem (CID 175696795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).