(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane

C27H19ClN3O2P — CID 2775494

IUPAC(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane
SMILESO=[N+]([O-])c1c(Cl)nc2ccccc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H19ClN3O2P/c28-27-26(31(32)33)25(23-18-10-11-19-24(23)29-27)30-34(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyIBMWPENGWKZCNN-UHFFFAOYSA-N
MW483.90 g/mol
LogP6.61
Rot. Bonds5

About (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane

(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane (PubChem CID 2775494) has the molecular formula C27H19ClN3O2P and a molecular weight of 483.90 g/mol. Its IUPAC name is (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Name(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane
PubChem CID2775494
Molecular FormulaC27H19ClN3O2P
Molecular Weight483.90 g/mol
Exact Mass483.09
IUPAC Name(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane
SMILESO=[N+]([O-])c1c(Cl)nc2ccccc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H19ClN3O2P/c28-27-26(31(32)33)25(23-18-10-11-19-24(23)29-27)30-34(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyIBMWPENGWKZCNN-UHFFFAOYSA-N
XLogP6.61
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.90
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane?
The IUPAC name of (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane (CID 2775494) is (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane.
What is the SMILES notation for (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane?
The canonical SMILES for (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane is O=[N+]([O-])c1c(Cl)nc2ccccc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane?
The InChIKey is IBMWPENGWKZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN3O2P/c28-27-26(31(32)33)25(23-18-10-11-19-24(23)29-27)30-34(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane?
(2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane has a molecular weight of 483.90 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-nitroquinolin-4-yl)imino-triphenyl-lambda5-phosphane is sourced from PubChem (CID 2775494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).