4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide

C20H21FN4O — CID 53240599

IUPAC4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C)c3C)c(F)ccc2c1N
InChIInChI=1S/C20H21FN4O/c1-4-10-23-20(26)19-17(22)14-8-9-15(21)16(18(14)24-25-19)13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H2,22,24)(H,23,26)
InChIKeyUZQFTJKZYNXOGO-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.77
Rot. Bonds4

About 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide

4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide (PubChem CID 53240599) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
PubChem CID53240599
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C)c3C)c(F)ccc2c1N
InChIInChI=1S/C20H21FN4O/c1-4-10-23-20(26)19-17(22)14-8-9-15(21)16(18(14)24-25-19)13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H2,22,24)(H,23,26)
InChIKeyUZQFTJKZYNXOGO-UHFFFAOYSA-N
XLogP3.77
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675
4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
4-amino-8-[4-ethoxy-2-(trifluoromethyl)phenyl]-7-fluoro-N-propylcinnoline-3-carboxamide
CID 143493546
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
(E)-2,3-diamino-3-[2-amino-3-(2,3-dimethylphenyl)-4-fluorophenyl]-N-propylprop-2-enamide
CID 143493499
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142
4-amino-N-propyl-8-pyrazin-2-ylcinnoline-3-carboxamide
CID 25132066
4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide (CID 53240599) is 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cccc(C)c3C)c(F)ccc2c1N.
What is the InChIKey of 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide?
The InChIKey is UZQFTJKZYNXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-4-10-23-20(26)19-17(22)14-8-9-15(21)16(18(14)24-25-19)13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H2,22,24)(H,23,26).
What are the key properties of 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide?
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 53240599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).