4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide

C20H19FN4O3 — CID 54584292

IUPAC4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1
InChIInChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyWEFRNUXPTYTOEU-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.93
Rot. Bonds5

About 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide

4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide (PubChem CID 54584292) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
PubChem CID54584292
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1
InChIInChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyWEFRNUXPTYTOEU-UHFFFAOYSA-N
XLogP2.93
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide (CID 54584292) is 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide is COc1ccc(OC)c(-c2c(F)ccc3c(N)c(C(=O)NC4CC4)nnc23)c1.
What is the InChIKey of 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
The InChIKey is WEFRNUXPTYTOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide?
4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-8-(2,5-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 54584292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).