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

C19H19FN4O3 — CID 23629881

IUPAC4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N
InChIInChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyBGGCZORPGAXQJX-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.79
Rot. Bonds5

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

4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide (PubChem CID 23629881) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
PubChem CID23629881
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N
InChIInChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyBGGCZORPGAXQJX-UHFFFAOYSA-N
XLogP2.79
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide (CID 23629881) is 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide is CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N.
What is the InChIKey of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
The InChIKey is BGGCZORPGAXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-4-22-19(25)18-16(21)11-6-7-13(20)15(17(11)23-24-18)12-9-10(26-2)5-8-14(12)27-3/h5-9H,4H2,1-3H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 23629881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).