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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Related Compounds

4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
CID 174557820
4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide
CID 91089832
5-amino-4-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82091667
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
9-amino-2-cyclopropyl-6-fluoro-5-(5-fluoro-2-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613450
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
9-amino-5-(5-chloro-2-methoxyphenyl)-2-ethyl-6-fluoro-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67486507
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
5-(2-bromo-6-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402418

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).