4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide

C21H21FN4O3 — CID 59791565

IUPAC4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1cccc(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1OC
InChIInChI=1S/C21H21FN4O3/c1-28-15-8-4-7-12(20(15)29-2)16-14(22)10-9-13-17(23)19(26-25-18(13)16)21(27)24-11-5-3-6-11/h4,7-11H,3,5-6H2,1-2H3,(H2,23,25)(H,24,27)
InChIKeyUQWVZWRKNGBQJU-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.32
Rot. Bonds5

About 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide

4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide (PubChem CID 59791565) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
PubChem CID59791565
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1cccc(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1OC
InChIInChI=1S/C21H21FN4O3/c1-28-15-8-4-7-12(20(15)29-2)16-14(22)10-9-13-17(23)19(26-25-18(13)16)21(27)24-11-5-3-6-11/h4,7-11H,3,5-6H2,1-2H3,(H2,23,25)(H,24,27)
InChIKeyUQWVZWRKNGBQJU-UHFFFAOYSA-N
XLogP3.32
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide (CID 59791565) is 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide is COc1cccc(-c2c(F)ccc3c(N)c(C(=O)NC4CCC4)nnc23)c1OC.
What is the InChIKey of 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
The InChIKey is UQWVZWRKNGBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-15-8-4-7-12(20(15)29-2)16-14(22)10-9-13-17(23)19(26-25-18(13)16)21(27)24-11-5-3-6-11/h4,7-11H,3,5-6H2,1-2H3,(H2,23,25)(H,24,27).
What are the key properties of 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 59791565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).