2-chloro-4-nitro-1H-indole;quinoline

C17H12ClN3O2 — CID 174954659

IUPAC2-chloro-4-nitro-1H-indole;quinoline
SMILESO=[N+]([O-])c1cccc2[nH]c(Cl)cc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H5ClN2O2/c1-2-6-9-8(4-1)5-3-7-10-9;9-8-4-5-6(10-8)2-1-3-7(5)11(12)13/h1-7H;1-4,10H
InChIKeySIBSYXCXUDDZDZ-UHFFFAOYSA-N
MW325.76 g/mol
LogP4.96
Rot. Bonds1

About 2-chloro-4-nitro-1H-indole;quinoline

2-chloro-4-nitro-1H-indole;quinoline (PubChem CID 174954659) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 2-chloro-4-nitro-1H-indole;quinoline.

Molecular Properties

Compound Name2-chloro-4-nitro-1H-indole;quinoline
PubChem CID174954659
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name2-chloro-4-nitro-1H-indole;quinoline
SMILESO=[N+]([O-])c1cccc2[nH]c(Cl)cc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C8H5ClN2O2/c1-2-6-9-8(4-1)5-3-7-10-9;9-8-4-5-6(10-8)2-1-3-7(5)11(12)13/h1-7H;1-4,10H
InChIKeySIBSYXCXUDDZDZ-UHFFFAOYSA-N
XLogP4.96
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline
CID 174899050
CID 88627944
CID 88627944
4-nitro-2-phenyl-1H-indole
CID 14960157
quinoline
CID 76974643
4,5-dinitro-9-oxofluorene-2,7-disulfonic acid;quinoline
CID 154804546
2-tert-butyl-4-nitro-1H-indole
CID 15852040
2-ethyl-4-nitro-1H-indole
CID 13047994
CID 160566295
CID 160566295
4-chloro-5-nitroquinoline
CID 12582845
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-1H-indole;quinoline?
The IUPAC name of 2-chloro-4-nitro-1H-indole;quinoline (CID 174954659) is 2-chloro-4-nitro-1H-indole;quinoline.
What is the SMILES notation for 2-chloro-4-nitro-1H-indole;quinoline?
The canonical SMILES for 2-chloro-4-nitro-1H-indole;quinoline is O=[N+]([O-])c1cccc2[nH]c(Cl)cc12.c1ccc2ncccc2c1.
What is the InChIKey of 2-chloro-4-nitro-1H-indole;quinoline?
The InChIKey is SIBSYXCXUDDZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H5ClN2O2/c1-2-6-9-8(4-1)5-3-7-10-9;9-8-4-5-6(10-8)2-1-3-7(5)11(12)13/h1-7H;1-4,10H.
What are the key properties of 2-chloro-4-nitro-1H-indole;quinoline?
2-chloro-4-nitro-1H-indole;quinoline has a molecular weight of 325.76 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-1H-indole;quinoline is sourced from PubChem (CID 174954659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).