(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile

C16H11ClN4O3 — CID 136675153

IUPAC(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile
SMILESCCc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)co1
InChIInChI=1S/C16H11ClN4O3/c1-2-13-19-12(7-24-13)14(22)10(6-18)15-20-11-5-8(17)3-4-9(11)16(23)21-15/h3-5,7,10H,2H2,1H3,(H,20,21,23)/t10-/m0/s1
InChIKeyLGZWGKULBHTKQT-JTQLQIEISA-N
MW342.74 g/mol
LogP2.62
Rot. Bonds4

About (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile

(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile (PubChem CID 136675153) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile
PubChem CID136675153
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile
SMILESCCc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)co1
InChIInChI=1S/C16H11ClN4O3/c1-2-13-19-12(7-24-13)14(22)10(6-18)15-20-11-5-8(17)3-4-9(11)16(23)21-15/h3-5,7,10H,2H2,1H3,(H,20,21,23)/t10-/m0/s1
InChIKeyLGZWGKULBHTKQT-JTQLQIEISA-N
XLogP2.62
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile with MolForge

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Related Compounds

(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-[(1S,2R)-2-methylcyclopropyl]-3-oxopropanenitrile
CID 137021651
(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-oxopropanenitrile
CID 136783619
(2S)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-5,5-dicyclopropyl-3-oxopent-4-enenitrile
CID 136731478
(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-3-oxopropanenitrile
CID 137021679
(2S)-3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)-3-oxopropanenitrile
CID 135777907
2-[6-(3-aminoprop-1-ynyl)-4-oxo-3H-quinazolin-2-yl]-3-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 137061638
7-chloro-2-[1-(furan-2-ylmethylamino)ethyl]-3H-quinazolin-4-one
CID 135526716
[(1S)-1-(7-chloro-4-oxo-3H-quinazolin-2-yl)ethyl]-pentylazanium
CID 135622591
(2R)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-propylpropanamide
CID 136706835
S-[(3S)-3-cyano-3-(6-fluoro-4-oxo-3H-quinazolin-2-yl)-2-oxopropyl] ethanethioate
CID 136828893
2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 2729248
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium
CID 135751172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile?
The IUPAC name of (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile (CID 136675153) is (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile.
What is the SMILES notation for (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile?
The canonical SMILES for (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile is CCc1nc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)co1.
What is the InChIKey of (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile?
The InChIKey is LGZWGKULBHTKQT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H11ClN4O3/c1-2-13-19-12(7-24-13)14(22)10(6-18)15-20-11-5-8(17)3-4-9(11)16(23)21-15/h3-5,7,10H,2H2,1H3,(H,20,21,23)/t10-/m0/s1.
What are the key properties of (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile?
(2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile has a molecular weight of 342.74 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-chloro-4-oxo-3H-quinazolin-2-yl)-3-(2-ethyl-1,3-oxazol-4-yl)-3-oxopropanenitrile is sourced from PubChem (CID 136675153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).