N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine

C21H23N3O2 — CID 56728889

IUPACN-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCOc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1OC(C)C
InChIInChI=1S/C21H23N3O2/c1-14(2)26-20-10-9-16(12-21(20)25-4)13-22-24-19-11-15(3)23-18-8-6-5-7-17(18)19/h5-14H,1-4H3,(H,23,24)/b22-13+
InChIKeyJJSMLSGCKDMJAK-LPYMAVHISA-N
MW349.43 g/mol
LogP4.79
Rot. Bonds6

About N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine

N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine (PubChem CID 56728889) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine
PubChem CID56728889
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine
SMILESCOc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1OC(C)C
InChIInChI=1S/C21H23N3O2/c1-14(2)26-20-10-9-16(12-21(20)25-4)13-22-24-19-11-15(3)23-18-8-6-5-7-17(18)19/h5-14H,1-4H3,(H,23,24)/b22-13+
InChIKeyJJSMLSGCKDMJAK-LPYMAVHISA-N
XLogP4.79
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.79
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

2-methoxy-4-[(E)-[(2-methylquinolin-4-yl)hydrazinylidene]methyl]phenol
CID 137266020
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 110510775
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
CID 13285422
N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511877
2-(2-hydroxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505035
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 1130729
8-methoxy-2-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
CID 44537227
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methylquinolin-4-yl)prop-2-enamide
CID 2331797
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110537631
4-chloro-5-[(2Z)-2-[(4-methoxy-3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 110512592
N-[(4-fluorophenyl)methylideneamino]-7-methoxy-2-methylquinolin-4-amine
CID 44537115
(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529581

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The IUPAC name of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine (CID 56728889) is N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The canonical SMILES for N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine is COc1cc(/C=N/Nc2cc(C)nc3ccccc23)ccc1OC(C)C.
What is the InChIKey of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
The InChIKey is JJSMLSGCKDMJAK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)26-20-10-9-16(12-21(20)25-4)13-22-24-19-11-15(3)23-18-8-6-5-7-17(18)19/h5-14H,1-4H3,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine?
N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-methylquinolin-4-amine is sourced from PubChem (CID 56728889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).