N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine

C18H17N3O2 — CID 171981198

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
SMILESCOc1ccc(/C=N/Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C18H17N3O2/c1-22-16-9-8-13(11-17(16)23-2)12-20-21-15-7-3-5-14-6-4-10-19-18(14)15/h3-12,21H,1-2H3/b20-12+
InChIKeyLUIAKLMQXLUNDI-UDWIEESQSA-N
MW307.35 g/mol
LogP3.70
Rot. Bonds5

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine (PubChem CID 171981198) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
PubChem CID171981198
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
SMILESCOc1ccc(/C=N/Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C18H17N3O2/c1-22-16-9-8-13(11-17(16)23-2)12-20-21-15-7-3-5-14-6-4-10-19-18(14)15/h3-12,21H,1-2H3/b20-12+
InChIKeyLUIAKLMQXLUNDI-UDWIEESQSA-N
XLogP3.70
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.70
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

N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1,8-naphthyridin-2-amine
CID 10960641
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022963
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylaniline
CID 9014773
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112862636
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6413560

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine (CID 171981198) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine is COc1ccc(/C=N/Nc2cccc3cccnc23)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine?
The InChIKey is LUIAKLMQXLUNDI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-16-9-8-13(11-17(16)23-2)12-20-21-15-7-3-5-14-6-4-10-19-18(14)15/h3-12,21H,1-2H3/b20-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine has a molecular weight of 307.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine is sourced from PubChem (CID 171981198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).