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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Related Compounds

4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
CID 25183553
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
CID 59791555
4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629695
4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791549
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791621
4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
CID 174557820
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
N-cyclopentyl-2-(5-fluoropyrimidin-2-yl)-6-methoxybenzamide
CID 154933527
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
9-amino-2-cyclobutyl-6-fluoro-5-(2-fluoro-3-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868307
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675

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).