4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide

C17H18BrFN4O — CID 135079512

IUPAC4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)N(C2CCC2)C2CCC2)nnc2c(Br)c(F)ccc12
InChIInChI=1S/C17H18BrFN4O/c18-13-12(19)8-7-11-14(20)16(22-21-15(11)13)17(24)23(9-3-1-4-9)10-5-2-6-10/h7-10H,1-6H2,(H2,20,21)
InChIKeyGZRKIFGLWZCSQS-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.66
Rot. Bonds3

About 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide

4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide (PubChem CID 135079512) has the molecular formula C17H18BrFN4O and a molecular weight of 393.26 g/mol. Its IUPAC name is 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide
PubChem CID135079512
Molecular FormulaC17H18BrFN4O
Molecular Weight393.26 g/mol
Exact Mass392.06
IUPAC Name4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)N(C2CCC2)C2CCC2)nnc2c(Br)c(F)ccc12
InChIInChI=1S/C17H18BrFN4O/c18-13-12(19)8-7-11-14(20)16(22-21-15(11)13)17(24)23(9-3-1-4-9)10-5-2-6-10/h7-10H,1-6H2,(H2,20,21)
InChIKeyGZRKIFGLWZCSQS-UHFFFAOYSA-N
XLogP3.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67229734
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CID 67229902
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CID 89825495
CID 89825495
CID 89825661
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CID 91664586
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CID 138490488
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CID 142547421
CID 142547421

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide (CID 135079512) is 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide is Nc1c(C(=O)N(C2CCC2)C2CCC2)nnc2c(Br)c(F)ccc12.
What is the InChIKey of 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide?
The InChIKey is GZRKIFGLWZCSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN4O/c18-13-12(19)8-7-11-14(20)16(22-21-15(11)13)17(24)23(9-3-1-4-9)10-5-2-6-10/h7-10H,1-6H2,(H2,20,21).
What are the key properties of 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide?
4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide has a molecular weight of 393.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 135079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).