7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide

C22H20N4O6 — CID 70569034

IUPAC7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide
SMILESCOc1cc2c3c(c1)c(=O)c(C(=O)NN=Cc1ccc([N+](=O)[O-])o1)cn3C1CCCCC21
InChIInChI=1S/C22H20N4O6/c1-31-13-8-15-14-4-2-3-5-18(14)25-11-17(21(27)16(9-13)20(15)25)22(28)24-23-10-12-6-7-19(32-12)26(29)30/h6-11,14,18H,2-5H2,1H3,(H,24,28)
InChIKeyJSVXTNQFCYDRLH-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.49
Rot. Bonds5

About 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide

7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide (PubChem CID 70569034) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide
PubChem CID70569034
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide
SMILESCOc1cc2c3c(c1)c(=O)c(C(=O)NN=Cc1ccc([N+](=O)[O-])o1)cn3C1CCCCC21
InChIInChI=1S/C22H20N4O6/c1-31-13-8-15-14-4-2-3-5-18(14)25-11-17(21(27)16(9-13)20(15)25)22(28)24-23-10-12-6-7-19(32-12)26(29)30/h6-11,14,18H,2-5H2,1H3,(H,24,28)
InChIKeyJSVXTNQFCYDRLH-UHFFFAOYSA-N
XLogP3.49
TPSA128.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-4-methoxy-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 126396561
ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
CID 20567393
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide
CID 71597983
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
1-[(4-methoxyphenyl)methyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
CID 9176284
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide (CID 70569034) is 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide is COc1cc2c3c(c1)c(=O)c(C(=O)NN=Cc1ccc([N+](=O)[O-])o1)cn3C1CCCCC21.
What is the InChIKey of 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide?
The InChIKey is JSVXTNQFCYDRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-31-13-8-15-14-4-2-3-5-18(14)25-11-17(21(27)16(9-13)20(15)25)22(28)24-23-10-12-6-7-19(32-12)26(29)30/h6-11,14,18H,2-5H2,1H3,(H,24,28).
What are the key properties of 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide?
7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxamide is sourced from PubChem (CID 70569034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).