4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine

C15H12N4O3 — CID 6248090

IUPAC4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
SMILESCc1cc(N/N=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12
InChIInChI=1S/C15H12N4O3/c1-10-8-14(17-13-5-3-2-4-12(10)13)18-16-9-11-6-7-15(22-11)19(20)21/h2-9H,1H3,(H,17,18)/b16-9-
InChIKeyNNWFDORZRKRZBL-SXGWCWSVSA-N
MW296.29 g/mol
LogP3.49
Rot. Bonds4

About 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine

4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine (PubChem CID 6248090) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
PubChem CID6248090
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
SMILESCc1cc(N/N=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12
InChIInChI=1S/C15H12N4O3/c1-10-8-14(17-13-5-3-2-4-12(10)13)18-16-9-11-6-7-15(22-11)19(20)21/h2-9H,1H3,(H,17,18)/b16-9-
InChIKeyNNWFDORZRKRZBL-SXGWCWSVSA-N
XLogP3.49
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.49
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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
2-[[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol;hydrochloride
CID 171151221
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711
6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 6412333
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 2852047
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
CID 3584414
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2357095
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoate
CID 7441988
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acridin-9-amine
CID 44715002
N-[(5-nitrofuran-2-yl)methylideneamino]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 86664230
1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
CID 6273750

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine?
The IUPAC name of 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine (CID 6248090) is 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine is Cc1cc(N/N=C\c2ccc([N+](=O)[O-])o2)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine?
The InChIKey is NNWFDORZRKRZBL-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-10-8-14(17-13-5-3-2-4-12(10)13)18-16-9-11-6-7-15(22-11)19(20)21/h2-9H,1H3,(H,17,18)/b16-9-.
What are the key properties of 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine?
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine has a molecular weight of 296.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 6248090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).