4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide

C18H16F2N4O2 — CID 90742118

IUPAC4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide
SMILESCOc1ccc(F)cc1-c1c(F)ccc2c(CCN)c(C(N)=O)nnc12
InChIInChI=1S/C18H16F2N4O2/c1-26-14-5-2-9(19)8-12(14)15-13(20)4-3-10-11(6-7-21)17(18(22)25)24-23-16(10)15/h2-5,8H,6-7,21H2,1H3,(H2,22,25)
InChIKeyNBBPDJRGLLGBJT-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.18
Rot. Bonds5

About 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide

4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide (PubChem CID 90742118) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide
PubChem CID90742118
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide
SMILESCOc1ccc(F)cc1-c1c(F)ccc2c(CCN)c(C(N)=O)nnc12
InChIInChI=1S/C18H16F2N4O2/c1-26-14-5-2-9(19)8-12(14)15-13(20)4-3-10-11(6-7-21)17(18(22)25)24-23-16(10)15/h2-5,8H,6-7,21H2,1H3,(H2,22,25)
InChIKeyNBBPDJRGLLGBJT-UHFFFAOYSA-N
XLogP2.18
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide (CID 90742118) is 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide is COc1ccc(F)cc1-c1c(F)ccc2c(CCN)c(C(N)=O)nnc12.
What is the InChIKey of 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide?
The InChIKey is NBBPDJRGLLGBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-26-14-5-2-9(19)8-12(14)15-13(20)4-3-10-11(6-7-21)17(18(22)25)24-23-16(10)15/h2-5,8H,6-7,21H2,1H3,(H2,22,25).
What are the key properties of 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide?
4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-fluoro-8-(5-fluoro-2-methoxyphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 90742118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).