furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone

C19H18N4O4 — CID 133451181

IUPACfuran-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C19H18N4O4/c1-13-11-17(15-12-14(23(25)26)4-5-16(15)20-13)21-6-8-22(9-7-21)19(24)18-3-2-10-27-18/h2-5,10-12H,6-9H2,1H3
InChIKeyGYDRNPBKKOUZJN-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.01
Rot. Bonds3

About furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 133451181) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID133451181
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namefuran-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C19H18N4O4/c1-13-11-17(15-12-14(23(25)26)4-5-16(15)20-13)21-6-8-22(9-7-21)19(24)18-3-2-10-27-18/h2-5,10-12H,6-9H2,1H3
InChIKeyGYDRNPBKKOUZJN-UHFFFAOYSA-N
XLogP3.01
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

furan-2-yl-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]methanone
CID 133436195
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
furan-2-yl-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2917079
furan-2-yl-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]methanone
CID 7456671
furan-2-yl-[4-(2-methyl-5-nitro-1,2,4-triazol-3-yl)piperazin-1-yl]methanone
CID 3735386
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 78791450
N-ethyl-1-(2-methyl-6-nitroquinolin-4-yl)azetidine-3-carboxamide
CID 75502385
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8932775
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
4-(2-methyl-6-nitroquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 75502395
2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
CID 857474

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone (CID 133451181) is furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GYDRNPBKKOUZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-13-11-17(15-12-14(23(25)26)4-5-16(15)20-13)21-6-8-22(9-7-21)19(24)18-3-2-10-27-18/h2-5,10-12H,6-9H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 366.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methyl-6-nitroquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133451181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).