4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide

C18H18FN5O3 — CID 174557820

IUPAC4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cnc(OC)cc3OC)c(F)ccc2c1N
InChIInChI=1S/C18H18FN5O3/c1-4-21-18(25)17-15(20)9-5-6-11(19)14(16(9)23-24-17)10-8-22-13(27-3)7-12(10)26-2/h5-8H,4H2,1-3H3,(H2,20,23)(H,21,25)
InChIKeyHKBZVQJHHSUZEN-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.18
Rot. Bonds5

About 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide

4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide (PubChem CID 174557820) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
PubChem CID174557820
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cnc(OC)cc3OC)c(F)ccc2c1N
InChIInChI=1S/C18H18FN5O3/c1-4-21-18(25)17-15(20)9-5-6-11(19)14(16(9)23-24-17)10-8-22-13(27-3)7-12(10)26-2/h5-8H,4H2,1-3H3,(H2,20,23)(H,21,25)
InChIKeyHKBZVQJHHSUZEN-UHFFFAOYSA-N
XLogP2.18
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
CID 59791555
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-8-[4-ethoxy-2-(trifluoromethyl)phenyl]-7-fluoro-N-propylcinnoline-3-carboxamide
CID 143493546
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
CID 25133442
4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide
CID 90742118
4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide
CID 91089832
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide
CID 58899646

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide (CID 174557820) is 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide is CCNC(=O)c1nnc2c(-c3cnc(OC)cc3OC)c(F)ccc2c1N.
What is the InChIKey of 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
The InChIKey is HKBZVQJHHSUZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-4-21-18(25)17-15(20)9-5-6-11(19)14(16(9)23-24-17)10-8-22-13(27-3)7-12(10)26-2/h5-8H,4H2,1-3H3,(H2,20,23)(H,21,25).
What are the key properties of 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide?
4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 174557820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).