methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate

C16H12N2O3 — CID 164575605

IUPACmethyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(O)c2)nnc2ccccc12
InChIInChI=1S/C16H12N2O3/c1-21-16(20)14-12-7-2-3-8-13(12)17-18-15(14)10-5-4-6-11(19)9-10/h2-9,19H,1H3
InChIKeyOBTGOBLKDDFEAL-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.79
Rot. Bonds2

About methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate

methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate (PubChem CID 164575605) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate
PubChem CID164575605
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namemethyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(O)c2)nnc2ccccc12
InChIInChI=1S/C16H12N2O3/c1-21-16(20)14-12-7-2-3-8-13(12)17-18-15(14)10-5-4-6-11(19)9-10/h2-9,19H,1H3
InChIKeyOBTGOBLKDDFEAL-UHFFFAOYSA-N
XLogP2.79
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-chlorophenyl)cinnoline-4-carboxylate
CID 164575604
methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
methyl acridine-9-carboxylate
CID 21211
[3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
CID 2822751
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
N-(2,4-dimethoxyphenyl)-3-phenylcinnoline-4-carboxamide
CID 46287961
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate?
The IUPAC name of methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate (CID 164575605) is methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate.
What is the SMILES notation for methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate?
The canonical SMILES for methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate is COC(=O)c1c(-c2cccc(O)c2)nnc2ccccc12.
What is the InChIKey of methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate?
The InChIKey is OBTGOBLKDDFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-16(20)14-12-7-2-3-8-13(12)17-18-15(14)10-5-4-6-11(19)9-10/h2-9,19H,1H3.
What are the key properties of methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate?
methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxyphenyl)cinnoline-4-carboxylate is sourced from PubChem (CID 164575605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).