8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine

C21H23N3O4 — CID 44537227

IUPAC8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1cc(C=NNc2cc(C)nc3c(OC)cccc23)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-13-9-16(15-7-6-8-17(25-2)20(15)23-13)24-22-12-14-10-18(26-3)21(28-5)19(11-14)27-4/h6-12H,1-5H3,(H,23,24)
InChIKeyKMRHUZUPFOZHJB-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.02
Rot. Bonds7

About 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine

8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine (PubChem CID 44537227) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
PubChem CID44537227
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1cc(C=NNc2cc(C)nc3c(OC)cccc23)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-13-9-16(15-7-6-8-17(25-2)20(15)23-13)24-22-12-14-10-18(26-3)21(28-5)19(11-14)27-4/h6-12H,1-5H3,(H,23,24)
InChIKeyKMRHUZUPFOZHJB-UHFFFAOYSA-N
XLogP4.02
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136847176
8-methoxy-2-methyl-N-[(E)-quinolin-2-ylmethylideneamino]quinolin-4-amine
CID 24805849
N-[(E)-(4-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481253
2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
N-[(E)-(4-chlorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481194
2-fluoro-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 164513023
N-[(3-fluorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 44537110
N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 56728889
4-methyl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6258839
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine (CID 44537227) is 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine is COc1cc(C=NNc2cc(C)nc3c(OC)cccc23)cc(OC)c1OC.
What is the InChIKey of 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
The InChIKey is KMRHUZUPFOZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13-9-16(15-7-6-8-17(25-2)20(15)23-13)24-22-12-14-10-18(26-3)21(28-5)19(11-14)27-4/h6-12H,1-5H3,(H,23,24).
What are the key properties of 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine?
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine has a molecular weight of 381.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 44537227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).