N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide

C16H13N3O3 — CID 21241368

IUPACN-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
SMILESCOc1cccc(NC(=O)c2n[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C16H13N3O3/c1-22-11-6-4-5-10(9-11)17-16(21)14-15(20)12-7-2-3-8-13(12)18-19-14/h2-9H,1H3,(H,17,21)(H,18,20)
InChIKeyNNXRVERTAJQROA-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.18
Rot. Bonds3

About N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide

N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide (PubChem CID 21241368) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
PubChem CID21241368
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide
SMILESCOc1cccc(NC(=O)c2n[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C16H13N3O3/c1-22-11-6-4-5-10(9-11)17-16(21)14-15(20)12-7-2-3-8-13(12)18-19-14/h2-9H,1H3,(H,17,21)(H,18,20)
InChIKeyNNXRVERTAJQROA-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
N-[1-(3-methoxyphenyl)propan-2-yl]-4-oxo-1H-cinnoline-3-carboxamide
CID 86943592
N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
CID 82860621
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
4,5-dibromo-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19508436
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
CID 21241441
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2482884

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide (CID 21241368) is N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide is COc1cccc(NC(=O)c2n[nH]c3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide?
The InChIKey is NNXRVERTAJQROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-11-6-4-5-10(9-11)17-16(21)14-15(20)12-7-2-3-8-13(12)18-19-14/h2-9H,1H3,(H,17,21)(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide?
N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-oxo-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 21241368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).