N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide

C21H22FN3O2 — CID 171502257

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1ccc(F)cc1OC(C)C
InChIInChI=1S/C21H22FN3O2/c1-13(2)27-20-11-17(22)7-8-19(20)25(14(3)26)12-15-4-5-16-6-9-21(23)24-18(16)10-15/h4-11,13H,12H2,1-3H3,(H2,23,24)
InChIKeyOINJDNUGBZINCV-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.30
Rot. Bonds5

About N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide

N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide (PubChem CID 171502257) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide
PubChem CID171502257
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1ccc(F)cc1OC(C)C
InChIInChI=1S/C21H22FN3O2/c1-13(2)27-20-11-17(22)7-8-19(20)25(14(3)26)12-15-4-5-16-6-9-21(23)24-18(16)10-15/h4-11,13H,12H2,1-3H3,(H2,23,24)
InChIKeyOINJDNUGBZINCV-UHFFFAOYSA-N
XLogP4.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide (CID 171502257) is N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide is CC(=O)N(Cc1ccc2ccc(N)nc2c1)c1ccc(F)cc1OC(C)C.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide?
The InChIKey is OINJDNUGBZINCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13(2)27-20-11-17(22)7-8-19(20)25(14(3)26)12-15-4-5-16-6-9-21(23)24-18(16)10-15/h4-11,13H,12H2,1-3H3,(H2,23,24).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide has a molecular weight of 367.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 171502257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).