N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine

C14H10IN3O — CID 45037906

IUPACN-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
SMILESIc1ccc(/C=N/Nc2cccc3cccnc23)o1
InChIInChI=1S/C14H10IN3O/c15-13-7-6-11(19-13)9-17-18-12-5-1-3-10-4-2-8-16-14(10)12/h1-9,18H/b17-9+
InChIKeyXYDUFSOBYUCQSW-RQZCQDPDSA-N
MW363.16 g/mol
LogP3.88
Rot. Bonds3

About N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine

N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine (PubChem CID 45037906) has the molecular formula C14H10IN3O and a molecular weight of 363.16 g/mol. Its IUPAC name is N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
PubChem CID45037906
Molecular FormulaC14H10IN3O
Molecular Weight363.16 g/mol
Exact Mass362.99
IUPAC NameN-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
SMILESIc1ccc(/C=N/Nc2cccc3cccnc23)o1
InChIInChI=1S/C14H10IN3O/c15-13-7-6-11(19-13)9-17-18-12-5-1-3-10-4-2-8-16-14(10)12/h1-9,18H/b17-9+
InChIKeyXYDUFSOBYUCQSW-RQZCQDPDSA-N
XLogP3.88
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-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-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
CID 3097114
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-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
CID 129441462
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 3119183
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
CID 78614143

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine?
The IUPAC name of N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine (CID 45037906) is N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine?
The canonical SMILES for N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine is Ic1ccc(/C=N/Nc2cccc3cccnc23)o1.
What is the InChIKey of N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine?
The InChIKey is XYDUFSOBYUCQSW-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H10IN3O/c15-13-7-6-11(19-13)9-17-18-12-5-1-3-10-4-2-8-16-14(10)12/h1-9,18H/b17-9+.
What are the key properties of N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine?
N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine has a molecular weight of 363.16 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine is sourced from PubChem (CID 45037906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).