2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide

C20H16N4O3 — CID 6884339

IUPAC2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H16N4O3/c25-20(23-21-12-13-4-3-5-15(10-13)24(26)27)17-11-19(14-8-9-14)22-18-7-2-1-6-16(17)18/h1-7,10-12,14H,8-9H2,(H,23,25)/b21-12+
InChIKeyCALKIQFWZCUJEF-CIAFOILYSA-N
MW360.37 g/mol
LogP3.78
Rot. Bonds5

About 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6884339) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6884339
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C20H16N4O3/c25-20(23-21-12-13-4-3-5-15(10-13)24(26)27)17-11-19(14-8-9-14)22-18-7-2-1-6-16(17)18/h1-7,10-12,14H,8-9H2,(H,23,25)/b21-12+
InChIKeyCALKIQFWZCUJEF-CIAFOILYSA-N
XLogP3.78
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.78
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

2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 2337421
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6875010
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 1388519
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135549800
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420088
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide (CID 6884339) is 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is CALKIQFWZCUJEF-CIAFOILYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-20(23-21-12-13-4-3-5-15(10-13)24(26)27)17-11-19(14-8-9-14)22-18-7-2-1-6-16(17)18/h1-7,10-12,14H,8-9H2,(H,23,25)/b21-12+.
What are the key properties of 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6884339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).