N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen

C17H18F2N6O2 — CID 171497049

IUPACN-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen
SMILESC[C@H](NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O)c1cnc(C#N)cn1.[H][H].[H][H]
InChIInChI=1S/C17H14F2N6O2.2H2/c1-9(14-6-21-10(4-20)5-22-14)23-15(26)8-25-7-11-13(24-17(25)27)3-2-12(18)16(11)19;;/h2-3,5-6,9H,7-8H2,1H3,(H,23,26)(H,24,27);2*1H/t9-;;/m0../s1
InChIKeyKPSGYWLUNMUBBA-WWPIYYJJSA-N
MW376.37 g/mol
LogP2.34
Rot. Bonds4

About N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen

N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen (PubChem CID 171497049) has the molecular formula C17H18F2N6O2 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen
PubChem CID171497049
Molecular FormulaC17H18F2N6O2
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC NameN-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen
SMILESC[C@H](NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O)c1cnc(C#N)cn1.[H][H].[H][H]
InChIInChI=1S/C17H14F2N6O2.2H2/c1-9(14-6-21-10(4-20)5-22-14)23-15(26)8-25-7-11-13(24-17(25)27)3-2-12(18)16(11)19;;/h2-3,5-6,9H,7-8H2,1H3,(H,23,26)(H,24,27);2*1H/t9-;;/m0../s1
InChIKeyKPSGYWLUNMUBBA-WWPIYYJJSA-N
XLogP2.34
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497044
N-[1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497555
N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171496996
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-isoquinolin-3-ylethyl]acetamide
CID 171497608
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 171497423
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(5-fluoro-6-methylpyrimidin-4-yl)ethyl]acetamide
CID 171496860
N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 177351352
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetic acid
CID 171497653
N-(6-cyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497066
2-(7-chloro-5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]acetamide
CID 176748858
N-[(3R)-6-cyano-4-fluoro-2,3-dihydro-1-benzofuran-3-yl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171496927
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)acetamide
CID 171497675

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen (CID 171497049) is N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen is C[C@H](NC(=O)CN1Cc2c(ccc(F)c2F)NC1=O)c1cnc(C#N)cn1.[H][H].[H][H].
What is the InChIKey of N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen?
The InChIKey is KPSGYWLUNMUBBA-WWPIYYJJSA-N. The full InChI is InChI=1S/C17H14F2N6O2.2H2/c1-9(14-6-21-10(4-20)5-22-14)23-15(26)8-25-7-11-13(24-17(25)27)3-2-12(18)16(11)19;;/h2-3,5-6,9H,7-8H2,1H3,(H,23,26)(H,24,27);2*1H/t9-;;/m0../s1.
What are the key properties of N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen?
N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen has a molecular weight of 376.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 171497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).