N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide

C22H17N3O2 — CID 53169748

IUPACN-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H17N3O2/c26-21-18-13-7-8-14-19(18)25(17-11-5-2-6-12-17)24-20(21)22(27)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,27)
InChIKeyIDMPGYKGPHUPAN-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.32
Rot. Bonds4

About N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide

N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide (PubChem CID 53169748) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
PubChem CID53169748
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H17N3O2/c26-21-18-13-7-8-14-19(18)25(17-11-5-2-6-12-17)24-20(21)22(27)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,27)
InChIKeyIDMPGYKGPHUPAN-UHFFFAOYSA-N
XLogP3.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169689
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide
CID 13167972
N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768
N-benzyl-4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004374
N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 32637086
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide?
The IUPAC name of N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide (CID 53169748) is N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide is O=C(NCc1ccccc1)c1nn(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide?
The InChIKey is IDMPGYKGPHUPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-21-18-13-7-8-14-19(18)25(17-11-5-2-6-12-17)24-20(21)22(27)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,27).
What are the key properties of N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide?
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide is sourced from PubChem (CID 53169748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).