6-phosphorosooxyquinoline

C9H6NO2P — CID 21130862

IUPAC6-phosphorosooxyquinoline
SMILESO=POc1ccc2ncccc2c1
InChIInChI=1S/C9H6NO2P/c11-13-12-8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
InChIKeyTZNXYYKPVPMPHF-UHFFFAOYSA-N
MW191.13 g/mol
LogP2.82
Rot. Bonds2

About 6-phosphorosooxyquinoline

6-phosphorosooxyquinoline (PubChem CID 21130862) has the molecular formula C9H6NO2P and a molecular weight of 191.13 g/mol. Its IUPAC name is 6-phosphorosooxyquinoline.

Molecular Properties

Compound Name6-phosphorosooxyquinoline
PubChem CID21130862
Molecular FormulaC9H6NO2P
Molecular Weight191.13 g/mol
Exact Mass191.01
IUPAC Name6-phosphorosooxyquinoline
SMILESO=POc1ccc2ncccc2c1
InChIInChI=1S/C9H6NO2P/c11-13-12-8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
InChIKeyTZNXYYKPVPMPHF-UHFFFAOYSA-N
XLogP2.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

quinolin-6-yl formate
CID 57289431
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
ethene;6-methoxyquinoline
CID 174599262
quinolin-6-yl methanesulfonate
CID 157288502
6-prop-2-enoxyquinoline
CID 21107330
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
2-quinolin-6-yloxyacetonitrile
CID 70448045
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
6-tridecoxyquinoline
CID 174908858

Frequently Asked Questions

What is the IUPAC name of 6-phosphorosooxyquinoline?
The IUPAC name of 6-phosphorosooxyquinoline (CID 21130862) is 6-phosphorosooxyquinoline.
What is the SMILES notation for 6-phosphorosooxyquinoline?
The canonical SMILES for 6-phosphorosooxyquinoline is O=POc1ccc2ncccc2c1.
What is the InChIKey of 6-phosphorosooxyquinoline?
The InChIKey is TZNXYYKPVPMPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO2P/c11-13-12-8-3-4-9-7(6-8)2-1-5-10-9/h1-6H.
What are the key properties of 6-phosphorosooxyquinoline?
6-phosphorosooxyquinoline has a molecular weight of 191.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phosphorosooxyquinoline is sourced from PubChem (CID 21130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).