N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

C21H19FN4O3 — CID 167890984

IUPACN-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc(F)c(N2CCCNC2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-16-7-6-15(12-18(16)26-9-3-8-23-21(26)29)24-19(27)11-14-10-13-4-1-2-5-17(13)25-20(14)28/h1-2,4-7,10,12H,3,8-9,11H2,(H,23,29)(H,24,27)(H,25,28)
InChIKeyJOESIKONXLZETQ-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.77
Rot. Bonds4

About N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 167890984) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID167890984
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc(F)c(N2CCCNC2=O)c1
InChIInChI=1S/C21H19FN4O3/c22-16-7-6-15(12-18(16)26-9-3-8-23-21(26)29)24-19(27)11-14-10-13-4-1-2-5-17(13)25-20(14)28/h1-2,4-7,10,12H,3,8-9,11H2,(H,23,29)(H,24,27)(H,25,28)
InChIKeyJOESIKONXLZETQ-UHFFFAOYSA-N
XLogP2.77
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 167890984) is N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc(F)c(N2CCCNC2=O)c1.
What is the InChIKey of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is JOESIKONXLZETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-7-6-15(12-18(16)26-9-3-8-23-21(26)29)24-19(27)11-14-10-13-4-1-2-5-17(13)25-20(14)28/h1-2,4-7,10,12H,3,8-9,11H2,(H,23,29)(H,24,27)(H,25,28).
What are the key properties of N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 167890984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).