N-(4-carbamoylphenyl)cinnoline-3-carboxamide

C16H12N4O2 — CID 110705141

IUPACN-(4-carbamoylphenyl)cinnoline-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc3ccccc3nn2)cc1
InChIInChI=1S/C16H12N4O2/c17-15(21)10-5-7-12(8-6-10)18-16(22)14-9-11-3-1-2-4-13(11)19-20-14/h1-9H,(H2,17,21)(H,18,22)
InChIKeyRUTMBABZLBDMLA-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.98
Rot. Bonds3

About N-(4-carbamoylphenyl)cinnoline-3-carboxamide

N-(4-carbamoylphenyl)cinnoline-3-carboxamide (PubChem CID 110705141) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)cinnoline-3-carboxamide
PubChem CID110705141
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC NameN-(4-carbamoylphenyl)cinnoline-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc3ccccc3nn2)cc1
InChIInChI=1S/C16H12N4O2/c17-15(21)10-5-7-12(8-6-10)18-16(22)14-9-11-3-1-2-4-13(11)19-20-14/h1-9H,(H2,17,21)(H,18,22)
InChIKeyRUTMBABZLBDMLA-UHFFFAOYSA-N
XLogP1.98
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468823
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
cinnoline-3-carboxylic acid;ethane
CID 90831322
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
benzamide;phenylurea
CID 143432016
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)cinnoline-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)cinnoline-3-carboxamide (CID 110705141) is N-(4-carbamoylphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)cinnoline-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)cinnoline-3-carboxamide is NC(=O)c1ccc(NC(=O)c2cc3ccccc3nn2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)cinnoline-3-carboxamide?
The InChIKey is RUTMBABZLBDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-15(21)10-5-7-12(8-6-10)18-16(22)14-9-11-3-1-2-4-13(11)19-20-14/h1-9H,(H2,17,21)(H,18,22).
What are the key properties of N-(4-carbamoylphenyl)cinnoline-3-carboxamide?
N-(4-carbamoylphenyl)cinnoline-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 110705141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).