(4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

C23H20N4O4 — CID 24789614

IUPAC(4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12
InChIInChI=1S/C23H20N4O4/c1-15-19-14-21(31-22(19)18-4-2-3-5-20(18)24-15)23(28)26-12-10-25(11-13-26)16-6-8-17(9-7-16)27(29)30/h2-9,14H,10-13H2,1H3
InChIKeyCFUAWBWDTLDWQQ-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.16
Rot. Bonds3

About (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

(4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 24789614) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
PubChem CID24789614
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name(4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12
InChIInChI=1S/C23H20N4O4/c1-15-19-14-21(31-22(19)18-4-2-3-5-20(18)24-15)23(28)26-12-10-25(11-13-26)16-6-8-17(9-7-16)27(29)30/h2-9,14H,10-13H2,1H3
InChIKeyCFUAWBWDTLDWQQ-UHFFFAOYSA-N
XLogP4.16
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CID 24789614) is (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is Cc1nc2ccccc2c2oc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12.
What is the InChIKey of (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is CFUAWBWDTLDWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-15-19-14-21(31-22(19)18-4-2-3-5-20(18)24-15)23(28)26-12-10-25(11-13-26)16-6-8-17(9-7-16)27(29)30/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
(4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 416.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylfuro[3,2-c]quinolin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24789614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).