7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine

C14H9ClN4O3 — CID 4083692

IUPAC7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(C=NNc2ccnc3cc(Cl)ccc23)o1
InChIInChI=1S/C14H9ClN4O3/c15-9-1-3-11-12(5-6-16-13(11)7-9)18-17-8-10-2-4-14(22-10)19(20)21/h1-8H,(H,16,18)
InChIKeyCSWFEWOOMWPWKL-UHFFFAOYSA-N
MW316.70 g/mol
LogP3.84
Rot. Bonds4

About 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine

7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine (PubChem CID 4083692) has the molecular formula C14H9ClN4O3 and a molecular weight of 316.70 g/mol. Its IUPAC name is 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
PubChem CID4083692
Molecular FormulaC14H9ClN4O3
Molecular Weight316.70 g/mol
Exact Mass316.04
IUPAC Name7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(C=NNc2ccnc3cc(Cl)ccc23)o1
InChIInChI=1S/C14H9ClN4O3/c15-9-1-3-11-12(5-6-16-13(11)7-9)18-17-8-10-2-4-14(22-10)19(20)21/h1-8H,(H,16,18)
InChIKeyCSWFEWOOMWPWKL-UHFFFAOYSA-N
XLogP3.84
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45487017
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135608147
N-[(4-tert-butylphenyl)methylideneamino]-7-chloroquinolin-4-amine
CID 4172043
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
7-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]quinolin-4-amine
CID 6056999
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
CID 6894037
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoate
CID 7441988
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
CID 3584414

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine (CID 4083692) is 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine is O=[N+]([O-])c1ccc(C=NNc2ccnc3cc(Cl)ccc23)o1.
What is the InChIKey of 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine?
The InChIKey is CSWFEWOOMWPWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O3/c15-9-1-3-11-12(5-6-16-13(11)7-9)18-17-8-10-2-4-14(22-10)19(20)21/h1-8H,(H,16,18).
What are the key properties of 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine has a molecular weight of 316.70 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 4083692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).