3-(phenoxymethyl)-1H-cinnolin-4-one

C15H12N2O2 — CID 15195548

IUPAC3-(phenoxymethyl)-1H-cinnolin-4-one
SMILESO=c1c(COc2ccccc2)n[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-17-14(15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18)
InChIKeyAVVSRROCFUTWPN-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.50
Rot. Bonds3

About 3-(phenoxymethyl)-1H-cinnolin-4-one

3-(phenoxymethyl)-1H-cinnolin-4-one (PubChem CID 15195548) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-(phenoxymethyl)-1H-cinnolin-4-one
PubChem CID15195548
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(phenoxymethyl)-1H-cinnolin-4-one
SMILESO=c1c(COc2ccccc2)n[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-17-14(15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18)
InChIKeyAVVSRROCFUTWPN-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate
CID 147584818
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
7-chloro-4-(phenoxymethyl)-2H-phthalazin-1-one
CID 15358733
butyl 2-(4-oxo-1H-cinnolin-3-yl)acetate
CID 166812528
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
methyl 5-methyl-3-(phenoxymethyl)-1H-pyrazole-4-carboxylate
CID 2746179
3-ethynyl-1H-cinnolin-4-one
CID 12908788
3-butan-2-yl-1H-cinnolin-4-one
CID 54104020
2-(phenoxymethyl)-1H-benzimidazol-3-ium
CID 4739127
3-(4-bromophenyl)-1H-cinnolin-4-one
CID 15194097
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585612

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1H-cinnolin-4-one?
The IUPAC name of 3-(phenoxymethyl)-1H-cinnolin-4-one (CID 15195548) is 3-(phenoxymethyl)-1H-cinnolin-4-one.
What is the SMILES notation for 3-(phenoxymethyl)-1H-cinnolin-4-one?
The canonical SMILES for 3-(phenoxymethyl)-1H-cinnolin-4-one is O=c1c(COc2ccccc2)n[nH]c2ccccc12.
What is the InChIKey of 3-(phenoxymethyl)-1H-cinnolin-4-one?
The InChIKey is AVVSRROCFUTWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-12-8-4-5-9-13(12)16-17-14(15)10-19-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18).
What are the key properties of 3-(phenoxymethyl)-1H-cinnolin-4-one?
3-(phenoxymethyl)-1H-cinnolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1H-cinnolin-4-one is sourced from PubChem (CID 15195548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).