quinolin-6-yl formate

C10H7NO2 — CID 57289431

IUPACquinolin-6-yl formate
SMILESO=COc1ccc2ncccc2c1
InChIInChI=1S/C10H7NO2/c12-7-13-9-3-4-10-8(6-9)2-1-5-11-10/h1-7H
InChIKeyYYGABBKEHFTTOT-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.77
Rot. Bonds2

About quinolin-6-yl formate

quinolin-6-yl formate (PubChem CID 57289431) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is quinolin-6-yl formate.

Molecular Properties

Compound Namequinolin-6-yl formate
PubChem CID57289431
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Namequinolin-6-yl formate
SMILESO=COc1ccc2ncccc2c1
InChIInChI=1S/C10H7NO2/c12-7-13-9-3-4-10-8(6-9)2-1-5-11-10/h1-7H
InChIKeyYYGABBKEHFTTOT-UHFFFAOYSA-N
XLogP1.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-phosphorosooxyquinoline
CID 21130862
6-prop-2-enoxyquinoline
CID 21107330
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
ethene;6-methoxyquinoline
CID 174599262
quinolin-6-yl methanesulfonate
CID 157288502
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
2-quinolin-6-yloxyacetonitrile
CID 70448045
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate
CID 58130106
(2-pyridin-2-yl-3H-benzimidazol-5-yl) formate
CID 86766119
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl formate?
The IUPAC name of quinolin-6-yl formate (CID 57289431) is quinolin-6-yl formate.
What is the SMILES notation for quinolin-6-yl formate?
The canonical SMILES for quinolin-6-yl formate is O=COc1ccc2ncccc2c1.
What is the InChIKey of quinolin-6-yl formate?
The InChIKey is YYGABBKEHFTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-7-13-9-3-4-10-8(6-9)2-1-5-11-10/h1-7H.
What are the key properties of quinolin-6-yl formate?
quinolin-6-yl formate has a molecular weight of 173.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl formate is sourced from PubChem (CID 57289431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).