7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine

C16H11ClN4O2 — CID 45487017

IUPAC7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H11ClN4O2/c17-12-3-6-14-15(7-8-18-16(14)9-12)20-19-10-11-1-4-13(5-2-11)21(22)23/h1-10H,(H,18,20)/b19-10+
InChIKeyHTAIILREQVWDQO-VXLYETTFSA-N
MW326.74 g/mol
LogP4.24
Rot. Bonds4

About 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine

7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine (PubChem CID 45487017) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
PubChem CID45487017
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H11ClN4O2/c17-12-3-6-14-15(7-8-18-16(14)9-12)20-19-10-11-1-4-13(5-2-11)21(22)23/h1-10H,(H,18,20)/b19-10+
InChIKeyHTAIILREQVWDQO-VXLYETTFSA-N
XLogP4.24
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
CID 4083692
N-[(4-tert-butylphenyl)methylideneamino]-7-chloroquinolin-4-amine
CID 4172043
7-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]quinolin-4-amine
CID 3976117
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135608147
6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 44537167
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
7-chloro-N-[(E)-(3-fluoro-4-imidazol-1-ylphenyl)methylideneamino]quinolin-4-amine;hydrochloride
CID 172537212
5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline
CID 5333447
4-N-(7-chloroquinolin-4-yl)-1-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine;dihydrochloride
CID 70203482
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine (CID 45487017) is 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine is O=[N+]([O-])c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine?
The InChIKey is HTAIILREQVWDQO-VXLYETTFSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-12-3-6-14-15(7-8-18-16(14)9-12)20-19-10-11-1-4-13(5-2-11)21(22)23/h1-10H,(H,18,20)/b19-10+.
What are the key properties of 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine has a molecular weight of 326.74 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 45487017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).