4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

C19H17ClN4 — CID 25105630

IUPAC4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N=C/c2cc3ccccc3nc2Cl)cc1
InChIInChI=1S/C19H17ClN4/c1-24(2)17-9-7-14(8-10-17)12-21-22-13-16-11-15-5-3-4-6-18(15)23-19(16)20/h3-13H,1-2H3/b21-12+,22-13+
InChIKeyNKYDJVYDWMUZNK-ADYPVIEZSA-N
MW336.83 g/mol
LogP4.41
Rot. Bonds4

About 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline

4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 25105630) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID25105630
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/N=C/c2cc3ccccc3nc2Cl)cc1
InChIInChI=1S/C19H17ClN4/c1-24(2)17-9-7-14(8-10-17)12-21-22-13-16-11-15-5-3-4-6-18(15)23-19(16)20/h3-13H,1-2H3/b21-12+,22-13+
InChIKeyNKYDJVYDWMUZNK-ADYPVIEZSA-N
XLogP4.41
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135478785
(E)-1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 6892736
1-(2-chloroquinolin-3-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 2094274
(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 45124564
1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine
CID 690981
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
1-[(E)-[(E)-(2-chloro-6-methylquinolin-3-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 135900226
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810
N,N-dimethylacridin-3-amine
CID 15294363
4-[(E)-2-benzo[f]quinolin-2-ylethenyl]-N,N-dimethylaniline
CID 53315199

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline (CID 25105630) is 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/N=C/c2cc3ccccc3nc2Cl)cc1.
What is the InChIKey of 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is NKYDJVYDWMUZNK-ADYPVIEZSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-24(2)17-9-7-14(8-10-17)12-21-22-13-16-11-15-5-3-4-6-18(15)23-19(16)20/h3-13H,1-2H3/b21-12+,22-13+.
What are the key properties of 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 336.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-(2-chloroquinolin-3-yl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 25105630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).