cinnolin-7-ylmethyl formate

C10H8N2O2 — CID 174648488

IUPACcinnolin-7-ylmethyl formate
SMILESO=COCc1ccc2ccnnc2c1
InChIInChI=1S/C10H8N2O2/c13-7-14-6-8-1-2-9-3-4-11-12-10(9)5-8/h1-5,7H,6H2
InChIKeyCUSVGXBOURFNBL-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.30
Rot. Bonds3

About cinnolin-7-ylmethyl formate

cinnolin-7-ylmethyl formate (PubChem CID 174648488) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is cinnolin-7-ylmethyl formate.

Molecular Properties

Compound Namecinnolin-7-ylmethyl formate
PubChem CID174648488
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namecinnolin-7-ylmethyl formate
SMILESO=COCc1ccc2ccnnc2c1
InChIInChI=1S/C10H8N2O2/c13-7-14-6-8-1-2-9-3-4-11-12-10(9)5-8/h1-5,7H,6H2
InChIKeyCUSVGXBOURFNBL-UHFFFAOYSA-N
XLogP1.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

isoquinolin-7-ylmethyl formate
CID 175541749
7-but-2-ynylcinnoline
CID 118335717
(2,4-dichloroquinolin-6-yl)methyl formate
CID 174805538
(3,4-difluorophenyl)methyl formate
CID 87852383
(2-amino-4-pyridinyl)methyl formate
CID 174909725
(2,6-dichloro-4-pyridinyl)methyl formate
CID 87852501
cinnoline-7-carboxylic acid
CID 115014244
[4-(ethenoxymethyl)phenyl]methyl formate
CID 139924907
(4-phosphanylphenyl)methyl formate
CID 91097019
(8-chloro-1,7-naphthyridin-3-yl)methyl formate
CID 175008159
sodium;hydride;(4-hydroxyphenyl)methyl formate
CID 173269022
[4-(formyloxymethyl)phenyl]methyl formate;[4-(hydroxymethyl)phenyl]methanol;molecular hydrogen
CID 158556157

Frequently Asked Questions

What is the IUPAC name of cinnolin-7-ylmethyl formate?
The IUPAC name of cinnolin-7-ylmethyl formate (CID 174648488) is cinnolin-7-ylmethyl formate.
What is the SMILES notation for cinnolin-7-ylmethyl formate?
The canonical SMILES for cinnolin-7-ylmethyl formate is O=COCc1ccc2ccnnc2c1.
What is the InChIKey of cinnolin-7-ylmethyl formate?
The InChIKey is CUSVGXBOURFNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-7-14-6-8-1-2-9-3-4-11-12-10(9)5-8/h1-5,7H,6H2.
What are the key properties of cinnolin-7-ylmethyl formate?
cinnolin-7-ylmethyl formate has a molecular weight of 188.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-7-ylmethyl formate is sourced from PubChem (CID 174648488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).