N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine

C20H18N4 — CID 78614143

IUPACN-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
SMILESCc1c(C=NNc2cccc3cccnc23)c2ccccc2n1C
InChIInChI=1S/C20H18N4/c1-14-17(16-9-3-4-11-19(16)24(14)2)13-22-23-18-10-5-7-15-8-6-12-21-20(15)18/h3-13,23H,1-2H3
InChIKeyARIIHUNFSHPIOY-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.48
Rot. Bonds3

About N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine

N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine (PubChem CID 78614143) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
PubChem CID78614143
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
SMILESCc1c(C=NNc2cccc3cccnc23)c2ccccc2n1C
InChIInChI=1S/C20H18N4/c1-14-17(16-9-3-4-11-19(16)24(14)2)13-22-23-18-10-5-7-15-8-6-12-21-20(15)18/h3-13,23H,1-2H3
InChIKeyARIIHUNFSHPIOY-UHFFFAOYSA-N
XLogP4.48
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
CID 110509075
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide
CID 113204473
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136718416
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
CID 45037906
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine (CID 78614143) is N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine is Cc1c(C=NNc2cccc3cccnc23)c2ccccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine?
The InChIKey is ARIIHUNFSHPIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-17(16-9-3-4-11-19(16)24(14)2)13-22-23-18-10-5-7-15-8-6-12-21-20(15)18/h3-13,23H,1-2H3.
What are the key properties of N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine?
N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine has a molecular weight of 314.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine is sourced from PubChem (CID 78614143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).