4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine

C19H12ClN5O2 — CID 11538111

IUPAC4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine
SMILESO=[N+]([O-])c1cccc(C2Nc3c(Cl)ncnc3-n3c2cc2ccccc23)c1
InChIInChI=1S/C19H12ClN5O2/c20-18-17-19(22-10-21-18)24-14-7-2-1-4-11(14)9-15(24)16(23-17)12-5-3-6-13(8-12)25(26)27/h1-10,16,23H
InChIKeyZAYYYRWRGOLBSP-UHFFFAOYSA-N
MW377.79 g/mol
LogP4.50
Rot. Bonds2

About 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine

4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine (PubChem CID 11538111) has the molecular formula C19H12ClN5O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine.

Molecular Properties

Compound Name4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine
PubChem CID11538111
Molecular FormulaC19H12ClN5O2
Molecular Weight377.79 g/mol
Exact Mass377.07
IUPAC Name4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine
SMILESO=[N+]([O-])c1cccc(C2Nc3c(Cl)ncnc3-n3c2cc2ccccc23)c1
InChIInChI=1S/C19H12ClN5O2/c20-18-17-19(22-10-21-18)24-14-7-2-1-4-11(14)9-15(24)16(23-17)12-5-3-6-13(8-12)25(26)27/h1-10,16,23H
InChIKeyZAYYYRWRGOLBSP-UHFFFAOYSA-N
XLogP4.50
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 54.50
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine?
The IUPAC name of 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine (CID 11538111) is 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine.
What is the SMILES notation for 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine?
The canonical SMILES for 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine is O=[N+]([O-])c1cccc(C2Nc3c(Cl)ncnc3-n3c2cc2ccccc23)c1.
What is the InChIKey of 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine?
The InChIKey is ZAYYYRWRGOLBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O2/c20-18-17-19(22-10-21-18)24-14-7-2-1-4-11(14)9-15(24)16(23-17)12-5-3-6-13(8-12)25(26)27/h1-10,16,23H.
What are the key properties of 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine?
4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine has a molecular weight of 377.79 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-nitrophenyl)-5,6-dihydroindolo[2,1-h]pteridine is sourced from PubChem (CID 11538111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).