4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide

C10H8BrFN4O — CID 142547421

IUPAC4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2cc(F)c(Br)cc2c1N
InChIInChI=1S/C10H8BrFN4O/c1-14-10(17)9-8(13)4-2-5(11)6(12)3-7(4)15-16-9/h2-3H,1H3,(H2,13,15)(H,14,17)
InChIKeyQQQDGKBWEGQWAX-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.47
Rot. Bonds1

About 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide

4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide (PubChem CID 142547421) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide
PubChem CID142547421
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC Name4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2cc(F)c(Br)cc2c1N
InChIInChI=1S/C10H8BrFN4O/c1-14-10(17)9-8(13)4-2-5(11)6(12)3-7(4)15-16-9/h2-3H,1H3,(H2,13,15)(H,14,17)
InChIKeyQQQDGKBWEGQWAX-UHFFFAOYSA-N
XLogP1.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide (CID 142547421) is 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide is CNC(=O)c1nnc2cc(F)c(Br)cc2c1N.
What is the InChIKey of 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide?
The InChIKey is QQQDGKBWEGQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c1-14-10(17)9-8(13)4-2-5(11)6(12)3-7(4)15-16-9/h2-3H,1H3,(H2,13,15)(H,14,17).
What are the key properties of 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide?
4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide has a molecular weight of 299.10 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-7-fluoro-N-methylcinnoline-3-carboxamide is sourced from PubChem (CID 142547421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).