N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide

C16H12FN3O2 — CID 21241441

IUPACN-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3cccc(F)c3)c(=O)c2c1
InChIInChI=1S/C16H12FN3O2/c1-9-5-6-13-12(7-9)15(21)14(20-19-13)16(22)18-11-4-2-3-10(17)8-11/h2-8H,1H3,(H,18,22)(H,19,21)
InChIKeyTTZSNPXDJFEMGK-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.62
Rot. Bonds2

About N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide

N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide (PubChem CID 21241441) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
PubChem CID21241441
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3cccc(F)c3)c(=O)c2c1
InChIInChI=1S/C16H12FN3O2/c1-9-5-6-13-12(7-9)15(21)14(20-19-13)16(22)18-11-4-2-3-10(17)8-11/h2-8H,1H3,(H,18,22)(H,19,21)
InChIKeyTTZSNPXDJFEMGK-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
CID 21241368
3-acetyl-6-fluoro-1H-cinnolin-4-one
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5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
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5-methyl-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 29107106
6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
5-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1H-indazole-3-carboxamide
CID 78867764
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide (CID 21241441) is N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide is Cc1ccc2[nH]nc(C(=O)Nc3cccc(F)c3)c(=O)c2c1.
What is the InChIKey of N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide?
The InChIKey is TTZSNPXDJFEMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-9-5-6-13-12(7-9)15(21)14(20-19-13)16(22)18-11-4-2-3-10(17)8-11/h2-8H,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide?
N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 21241441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).