N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine

C20H14BrN3O — CID 3097114

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
SMILESBrc1ccc(-c2ccc(C=NNc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C20H14BrN3O/c21-16-8-6-14(7-9-16)19-11-10-17(25-19)13-23-24-18-5-1-3-15-4-2-12-22-20(15)18/h1-13,24H
InChIKeyULTGZHXNLQZASS-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.70
Rot. Bonds4

About N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine

N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine (PubChem CID 3097114) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
PubChem CID3097114
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
SMILESBrc1ccc(-c2ccc(C=NNc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C20H14BrN3O/c21-16-8-6-14(7-9-16)19-11-10-17(25-19)13-23-24-18-5-1-3-15-4-2-12-22-20(15)18/h1-13,24H
InChIKeyULTGZHXNLQZASS-UHFFFAOYSA-N
XLogP5.70
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
CID 45037906
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2844460
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
3-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 91962126
1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4222897
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-3-amine
CID 50889286
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
N-[(1,2-dimethylindol-3-yl)methylideneamino]quinolin-8-amine
CID 78614143

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine (CID 3097114) is N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine is Brc1ccc(-c2ccc(C=NNc3cccc4cccnc34)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine?
The InChIKey is ULTGZHXNLQZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-16-8-6-14(7-9-16)19-11-10-17(25-19)13-23-24-18-5-1-3-15-4-2-12-22-20(15)18/h1-13,24H.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine has a molecular weight of 392.26 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine is sourced from PubChem (CID 3097114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).