7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine

C19H18ClN3O2 — CID 6048101

IUPAC7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
SMILESCOc1ccc(OC)c(/C(C)=N\Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C19H18ClN3O2/c1-12(16-11-14(24-2)5-7-19(16)25-3)22-23-17-8-9-21-18-10-13(20)4-6-15(17)18/h4-11H,1-3H3,(H,21,23)/b22-12-
InChIKeyLKLFSFPMCCGVPL-UUYOSTAYSA-N
MW355.83 g/mol
LogP4.74
Rot. Bonds5

About 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine

7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine (PubChem CID 6048101) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
PubChem CID6048101
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
SMILESCOc1ccc(OC)c(/C(C)=N\Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C19H18ClN3O2/c1-12(16-11-14(24-2)5-7-19(16)25-3)22-23-17-8-9-21-18-10-13(20)4-6-15(17)18/h4-11H,1-3H3,(H,21,23)/b22-12-
InChIKeyLKLFSFPMCCGVPL-UUYOSTAYSA-N
XLogP4.74
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
CID 9076847
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate
CID 9112911
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013734
2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9076810
7-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
CID 6181870
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9076932

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine (CID 6048101) is 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine is COc1ccc(OC)c(/C(C)=N\Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine?
The InChIKey is LKLFSFPMCCGVPL-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(16-11-14(24-2)5-7-19(16)25-3)22-23-17-8-9-21-18-10-13(20)4-6-15(17)18/h4-11H,1-3H3,(H,21,23)/b22-12-.
What are the key properties of 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine?
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine has a molecular weight of 355.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine is sourced from PubChem (CID 6048101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).