7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine

C23H26ClN4O2+ — CID 9076847

IUPAC7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
SMILESCOc1ccc(/C(C)=N\Nc2ccnc3cc(Cl)ccc23)cc1C[NH+]1CCOCC1
InChIInChI=1S/C23H25ClN4O2/c1-16(26-27-21-7-8-25-22-14-19(24)4-5-20(21)22)17-3-6-23(29-2)18(13-17)15-28-9-11-30-12-10-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,27)/p+1/b26-16-
InChIKeyYWQDSJZYHWBINS-QQXSKIMKSA-O
MW425.94 g/mol
LogP3.15
Rot. Bonds6

About 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine

7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine (PubChem CID 9076847) has the molecular formula C23H26ClN4O2+ and a molecular weight of 425.94 g/mol. Its IUPAC name is 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
PubChem CID9076847
Molecular FormulaC23H26ClN4O2+
Molecular Weight425.94 g/mol
Exact Mass425.17
IUPAC Name7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
SMILESCOc1ccc(/C(C)=N\Nc2ccnc3cc(Cl)ccc23)cc1C[NH+]1CCOCC1
InChIInChI=1S/C23H25ClN4O2/c1-16(26-27-21-7-8-25-22-14-19(24)4-5-20(21)22)17-3-6-23(29-2)18(13-17)15-28-9-11-30-12-10-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,27)/p+1/b26-16-
InChIKeyYWQDSJZYHWBINS-QQXSKIMKSA-O
XLogP3.15
TPSA60.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.15
H-Bond Donors ≤ 52
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'}

Analyze 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine 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-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]urea
CID 9017280
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
3-[(2Z)-2-[1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784883
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029766
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
N-[(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121744
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 9176517
N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide
CID 9352942
2-(2,5-dimethylphenoxy)-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]acetamide
CID 9316017

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine (CID 9076847) is 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine is COc1ccc(/C(C)=N\Nc2ccnc3cc(Cl)ccc23)cc1C[NH+]1CCOCC1.
What is the InChIKey of 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine?
The InChIKey is YWQDSJZYHWBINS-QQXSKIMKSA-O. The full InChI is InChI=1S/C23H25ClN4O2/c1-16(26-27-21-7-8-25-22-14-19(24)4-5-20(21)22)17-3-6-23(29-2)18(13-17)15-28-9-11-30-12-10-28/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,27)/p+1/b26-16-.
What are the key properties of 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine?
7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine has a molecular weight of 425.94 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine is sourced from PubChem (CID 9076847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).