5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline

C17H9ClN2O3 — CID 71769729

IUPAC5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline
SMILESO=[N+]([O-])c1ccc(-c2cc3cc(Cl)c4cccnc4c3o2)cc1
InChIInChI=1S/C17H9ClN2O3/c18-14-8-11-9-15(10-3-5-12(6-4-10)20(21)22)23-17(11)16-13(14)2-1-7-19-16/h1-9H
InChIKeyDVCMIRPDLSUEAX-UHFFFAOYSA-N
MW324.72 g/mol
LogP5.21
Rot. Bonds2

About 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline

5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline (PubChem CID 71769729) has the molecular formula C17H9ClN2O3 and a molecular weight of 324.72 g/mol. Its IUPAC name is 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline.

Molecular Properties

Compound Name5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline
PubChem CID71769729
Molecular FormulaC17H9ClN2O3
Molecular Weight324.72 g/mol
Exact Mass324.03
IUPAC Name5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline
SMILESO=[N+]([O-])c1ccc(-c2cc3cc(Cl)c4cccnc4c3o2)cc1
InChIInChI=1S/C17H9ClN2O3/c18-14-8-11-9-15(10-3-5-12(6-4-10)20(21)22)23-17(11)16-13(14)2-1-7-19-16/h1-9H
InChIKeyDVCMIRPDLSUEAX-UHFFFAOYSA-N
XLogP5.21
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.72
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline?
The IUPAC name of 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline (CID 71769729) is 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline.
What is the SMILES notation for 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline?
The canonical SMILES for 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline is O=[N+]([O-])c1ccc(-c2cc3cc(Cl)c4cccnc4c3o2)cc1.
What is the InChIKey of 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline?
The InChIKey is DVCMIRPDLSUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O3/c18-14-8-11-9-15(10-3-5-12(6-4-10)20(21)22)23-17(11)16-13(14)2-1-7-19-16/h1-9H.
What are the key properties of 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline?
5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline has a molecular weight of 324.72 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-nitrophenyl)furo[3,2-h]quinoline is sourced from PubChem (CID 71769729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).