4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide

C16H13FN4O — CID 10685342

IUPAC4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnc2cc(F)ccc12
InChIInChI=1S/C16H13FN4O/c17-11-6-7-12-13(8-11)20-21-15(14(12)18)16(22)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,22)
InChIKeyYASKFAZXWRHCEE-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.28
Rot. Bonds3

About 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide

4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide (PubChem CID 10685342) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide
PubChem CID10685342
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnc2cc(F)ccc12
InChIInChI=1S/C16H13FN4O/c17-11-6-7-12-13(8-11)20-21-15(14(12)18)16(22)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,22)
InChIKeyYASKFAZXWRHCEE-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3074774
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4-amino-N-benzyl-2-methylquinoline-6-carboxamide
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N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
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CID 54594052
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide (CID 10685342) is 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide is Nc1c(C(=O)NCc2ccccc2)nnc2cc(F)ccc12.
What is the InChIKey of 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide?
The InChIKey is YASKFAZXWRHCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-11-6-7-12-13(8-11)20-21-15(14(12)18)16(22)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,20)(H,19,22).
What are the key properties of 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide?
4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 10685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).